Hot electrons in superlattices: quantum transport versus Boltzmann equation
DEFF Research Database (Denmark)
Wacker, Andreas; Jauho, Antti-Pekka; Rott, S.
1999-01-01
A self-consistent solution of the transport equation is presented for semiconductor superlattices within different approaches: (i) a full quantum transport model based on nonequilibrium Green functions, (ii) the semiclassical Boltzmann equation for electrons in a miniband, and (iii) Boltzmann...
Heat conduction in multifunctional nanotrusses studied using Boltzmann transport equation
International Nuclear Information System (INIS)
Dou, Nicholas G.; Minnich, Austin J.
2016-01-01
Materials that possess low density, low thermal conductivity, and high stiffness are desirable for engineering applications, but most materials cannot realize these properties simultaneously due to the coupling between them. Nanotrusses, which consist of hollow nanoscale beams architected into a periodic truss structure, can potentially break these couplings due to their lattice architecture and nanoscale features. In this work, we study heat conduction in the exact nanotruss geometry by solving the frequency-dependent Boltzmann transport equation using a variance-reduced Monte Carlo algorithm. We show that their thermal conductivity can be described with only two parameters, solid fraction and wall thickness. Our simulations predict that nanotrusses can realize unique combinations of mechanical and thermal properties that are challenging to achieve in typical materials
International Nuclear Information System (INIS)
Mozolevski, I.E.
2001-01-01
We consider the splitting of the straight-ahead Boltzmann transport equation in the Boltzmann-Fokker-Planck equation, decomposing the differential cross-section into a singular part, corresponding to small energy transfer events, and in a regular one, which corresponds to large energy transfer. The convergence of implantation profile, nuclear and electronic energy depositions, calculated from the Boltzmann-Fokker-Planck equation, to the respective exact distributions, calculated from Monte-Carlo method, was exanimate in a large-energy interval for various values of splitting parameter and for different ion-target mass relations. It is shown that for the universal potential there exists an optimal value of splitting parameter, for which range and deposited energy distributions, calculated from the Boltzmann-Fokker-Planck equation, accurately approximate the exact distributions and which minimizes the computational expenses
An introduction to the Boltzmann equation and transport processes in gases
Kremer, Gilberto M; Colton, David
2010-01-01
This book covers classical kinetic theory of gases, presenting basic principles in a self-contained framework and from a more rigorous approach based on the Boltzmann equation. Uses methods in kinetic theory for determining the transport coefficients of gases.
On the Boltzmann Equation of Thermal Transport for Interacting Phonons and Electrons
Directory of Open Access Journals (Sweden)
Amelia Carolina Sparavigna
2016-05-01
Full Text Available The thermal transport in a solid can be determined by means of the Boltzmann equations regarding its distributions of phonons and electrons, when the solid is subjected to a thermal gradient. After solving the coupled equations, the related thermal conductivities can be obtained. Here we show how to determine the coupled equations for phonons and electrons.
Transition flow ion transport via integral Boltzmann equation
International Nuclear Information System (INIS)
Darcie, T.E.
1983-10-01
A new approach is developed to solve the Integral Boltzmann Equation for the evolving velocity distribution of a source of ions, undergoing electrostatic acceleration through a neutral gas target. The theory is applicable to arbitrarily strong electric fields, any ion/neutral mass ratio greater than unity, and is not limited to spatially isotropic gas targets. A hard sphere collision model is used, with a provision for inelasticity. Both axial and radial velocity distributions are calculated for applications where precollision radial velocities are negligible, as is the case for ion beam extractions from high pressure sources. Theoretical predictions are tested through an experiment in which an atmospheric pressure ion source is coupled to a high vacuum energy analyser. Excellent agreement results for configurations in which the radial velocity remains small. Velocity distributions are applied to predicting the efficiency of coupling an atmospheric pressure ion source to a quadrupole mass spectrometer and results clearly indicate the most desirable extracting configuration. A method is devised to calculate ion-molecule hard sphere collision cross sections for easily fragmented organic ions
Inelastic Quantum Transport in Superlattices: Success and Failure of the Boltzmann Equation
DEFF Research Database (Denmark)
Wacker, Andreas; Jauho, Antti-Pekka; Rott, Stephan
1999-01-01
the whole held range from linear response to negative differential conductivity. The quantum results are compared with the respective results obtained from a Monte Carlo solution of the Boltzmann equation. Our analysis thus sets the limits of validity for the semiclassical theory in a nonlinear transport...
Parallel computing solution of Boltzmann neutron transport equation
International Nuclear Information System (INIS)
Ansah-Narh, T.
2010-01-01
The focus of the research was on developing parallel computing algorithm for solving Eigen-values of the Boltzmam Neutron Transport Equation (BNTE) in a slab geometry using multi-grid approach. In response to the problem of slow execution of serial computing when solving large problems, such as BNTE, the study was focused on the design of parallel computing systems which was an evolution of serial computing that used multiple processing elements simultaneously to solve complex physical and mathematical problems. Finite element method (FEM) was used for the spatial discretization scheme, while angular discretization was accomplished by expanding the angular dependence in terms of Legendre polynomials. The eigenvalues representing the multiplication factors in the BNTE were determined by the power method. MATLAB Compiler Version 4.1 (R2009a) was used to compile the MATLAB codes of BNTE. The implemented parallel algorithms were enabled with matlabpool, a Parallel Computing Toolbox function. The option UseParallel was set to 'always' and the default value of the option was 'never'. When those conditions held, the solvers computed estimated gradients in parallel. The parallel computing system was used to handle all the bottlenecks in the matrix generated from the finite element scheme and each domain of the power method generated. The parallel algorithm was implemented on a Symmetric Multi Processor (SMP) cluster machine, which had Intel 32 bit quad-core x 86 processors. Convergence rates and timings for the algorithm on the SMP cluster machine were obtained. Numerical experiments indicated the designed parallel algorithm could reach perfect speedup and had good stability and scalability. (au)
A simple Boltzmann transport equation for ballistic to diffusive transient heat transport
International Nuclear Information System (INIS)
Maassen, Jesse; Lundstrom, Mark
2015-01-01
Developing simplified, but accurate, theoretical approaches to treat heat transport on all length and time scales is needed to further enable scientific insight and technology innovation. Using a simplified form of the Boltzmann transport equation (BTE), originally developed for electron transport, we demonstrate how ballistic phonon effects and finite-velocity propagation are easily and naturally captured. We show how this approach compares well to the phonon BTE, and readily handles a full phonon dispersion and energy-dependent mean-free-path. This study of transient heat transport shows (i) how fundamental temperature jumps at the contacts depend simply on the ballistic thermal resistance, (ii) that phonon transport at early times approach the ballistic limit in samples of any length, and (iii) perceived reductions in heat conduction, when ballistic effects are present, originate from reductions in temperature gradient. Importantly, this framework can be recast exactly as the Cattaneo and hyperbolic heat equations, and we discuss how the key to capturing ballistic heat effects is to use the correct physical boundary conditions
A multi scale approximation solution for the time dependent Boltzmann-transport equation
International Nuclear Information System (INIS)
Merk, B.
2004-03-01
The basis of all transient simulations for nuclear reactor cores is the reliable calculation of the power production. The local power distribution is generally calculated by solving the space, time, energy and angle dependent neutron transport equation known as Boltzmann equation. The computation of exact solutions of the Boltzmann equation is very time consuming. For practical numerical simulations approximated solutions are usually unavoidable. The objective of this work is development of an effective multi scale approximation solution for the Boltzmann equation. Most of the existing methods are based on separation of space and time. The new suggested method is performed without space-time separation. This effective approximation solution is developed on the basis of an expansion for the time derivative of different approximations to the Boltzmann equation. The method of multiple scale expansion is used for the expansion of the time derivative, because the problem of the stiff time behaviour can't be expressed by standard expansion methods. This multiple scale expansion is used in this work to develop approximation solutions for different approximations of the Boltzmann equation, starting from the expansion of the point kinetics equations. The resulting analytic functions are used for testing the applicability and accuracy of the multiple scale expansion method for an approximation solution with 2 delayed neutron groups. The results are tested versus the exact analytical results for the point kinetics equations. Very good agreement between both solutions is obtained. The validity of the solution with 2 delayed neutron groups to approximate the behaviour of the system with 6 delayed neutron groups is demonstrated in an additional analysis. A strategy for a solution with 4 delayed neutron groups is described. A multiple scale expansion is performed for the space-time dependent diffusion equation for one homogenized cell with 2 delayed neutron groups. The result is
International Nuclear Information System (INIS)
Stancic, V.
2001-01-01
This paper presents some elements of a new approach to solve analytically the linearized three-dimensional (3-D) transport equation of neutral particles. Since this task is of such special importance, we present some results of a paper that is still in progress. The most important is that using this transformation, an integro-differential equation with an analytical solution is obtained. For this purpose, a simplest 3-D equation is being considered which describes the transport process in an infinite medium. Until now, this equation has been analytically considered either using the Laplace transform with respect to time parameter t or applying the Fourier transform over the space coordinate. Both of them reduce the number of differential terms in the equation; however, evaluation of the inverse transformation is complicated. In this paper, we introduce for the first time a Fourier transform induced by the Boltzmann operator. For this, we use a complete set of 3-D eigenfunctions of the Boltzmann transport operator defined in a similar way as those that have been already used in 3-D transport theory as a basic set to transform the transport equation. This set consists of a continuous part and a discrete one with spectral measure. The density distribution equation shows the known form asymptotic behavior. Several applications are to be performed using this equation and compared to the benchmark one. Such an analysis certainly would be out of the available space
Nag, Abhinav; Kumari, Anuja; Kumar, Jagdish
2018-05-01
We have investigated structural, electronic and transport properties of the alkali metals using ab-initio density functional theory. The electron energy dispersions are found parabolic free electron like which is expected for alkali metals. The lattice constants for all the studied metals are also in good agreement within 98% with experiments. We have further computed their transport properties using semi-classical Boltzmann transport equations with special focus on electrical and thermal conductivity. Our objective was to obtain Wiedemann-Franz law and hence Lorenz number. The motivation to do these calculations is to see that how the incorporation of different interactions such as electron-lattice, electron-electron interaction affect the Wiedeman-Franz law. By solving Boltzmann transport equations, we have obtained electrical conductivity (σ/τ) and thermal conductivity (κ0 /τ) at different temperatures and then calculated Lorenz number using L = κ0 /(σT). The obtained value of Lorenz number has been found to match with value derived for free electron Fermi gas 2.44× 10-8 WΩK-2. Our results prove that the Wiedemann-Franz law as derived for free electron gas does not change much for alkali metals, even when one incorporates interaction of electrons with atomic nuclei and other electrons. However, at lower temperatures, the Lorenz number, was found to be deviating from its theoretical value.
Quantum linear Boltzmann equation
International Nuclear Information System (INIS)
Vacchini, Bassano; Hornberger, Klaus
2009-01-01
We review the quantum version of the linear Boltzmann equation, which describes in a non-perturbative fashion, by means of scattering theory, how the quantum motion of a single test particle is affected by collisions with an ideal background gas. A heuristic derivation of this Lindblad master equation is presented, based on the requirement of translation-covariance and on the relation to the classical linear Boltzmann equation. After analyzing its general symmetry properties and the associated relaxation dynamics, we discuss a quantum Monte Carlo method for its numerical solution. We then review important limiting forms of the quantum linear Boltzmann equation, such as the case of quantum Brownian motion and pure collisional decoherence, as well as the application to matter wave optics. Finally, we point to the incorporation of quantum degeneracies and self-interactions in the gas by relating the equation to the dynamic structure factor of the ambient medium, and we provide an extension of the equation to include internal degrees of freedom.
Quadratic inner element subgrid scale discretisation of the Boltzmann transport equation
International Nuclear Information System (INIS)
Baker, C.M.J.; Buchan, A.G.; Pain, C.C.; Tollit, B.; Eaton, M.D.; Warner, P.
2012-01-01
This paper explores the application of the inner element subgrid scale method to the Boltzmann transport equation using quadratic basis functions. Previously, only linear basis functions for both the coarse scale and the fine scale were considered. This paper, therefore, analyses the advantages of using different coarse and subgrid basis functions for increasing the accuracy of the subgrid scale method. The transport of neutral particle radiation may be described by the Boltzmann transport equation (BTE) which, due to its 7 dimensional phase space, is computationally expensive to resolve. Multi-scale methods offer an approach to efficiently resolve the spatial dimensions of the BTE by separating the solution into its coarse and fine scales and formulating a solution whereby only the computationally efficient coarse scales need to be solved. In previous work an inner element subgrid scale method was developed that applied a linear continuous and discontinuous finite element method to represent the solution’s coarse and fine scale components. This approach was shown to generate efficient and stable solutions, and so this article continues its development by formulating higher order quadratic finite element expansions over the continuous and discontinuous scales. Here it is shown that a solution’s convergence can be improved significantly using higher order basis functions. Furthermore, by using linear finite elements to represent coarse scales in combination with quadratic fine scales, convergence can also be improved with only a modest increase in computational expense.
Flavored quantum Boltzmann equations
International Nuclear Information System (INIS)
Cirigliano, Vincenzo; Lee, Christopher; Ramsey-Musolf, Michael J.; Tulin, Sean
2010-01-01
We derive from first principles, using nonequilibrium field theory, the quantum Boltzmann equations that describe the dynamics of flavor oscillations, collisions, and a time-dependent mass matrix in the early universe. Working to leading nontrivial order in ratios of relevant time scales, we study in detail a toy model for weak-scale baryogenesis: two scalar species that mix through a slowly varying time-dependent and CP-violating mass matrix, and interact with a thermal bath. This model clearly illustrates how the CP asymmetry arises through coherent flavor oscillations in a nontrivial background. We solve the Boltzmann equations numerically for the density matrices, investigating the impact of collisions in various regimes.
Zhang, Chuang; Guo, Zhaoli; Chen, Songze
2017-12-01
An implicit kinetic scheme is proposed to solve the stationary phonon Boltzmann transport equation (BTE) for multiscale heat transfer problem. Compared to the conventional discrete ordinate method, the present method employs a macroscopic equation to accelerate the convergence in the diffusive regime. The macroscopic equation can be taken as a moment equation for phonon BTE. The heat flux in the macroscopic equation is evaluated from the nonequilibrium distribution function in the BTE, while the equilibrium state in BTE is determined by the macroscopic equation. These two processes exchange information from different scales, such that the method is applicable to the problems with a wide range of Knudsen numbers. Implicit discretization is implemented to solve both the macroscopic equation and the BTE. In addition, a memory reduction technique, which is originally developed for the stationary kinetic equation, is also extended to phonon BTE. Numerical comparisons show that the present scheme can predict reasonable results both in ballistic and diffusive regimes with high efficiency, while the memory requirement is on the same order as solving the Fourier law of heat conduction. The excellent agreement with benchmark and the rapid converging history prove that the proposed macro-micro coupling is a feasible solution to multiscale heat transfer problems.
Solution of the Boltzmann-Fokker-Planck transport equation using exponential nodal schemes
International Nuclear Information System (INIS)
Ortega J, R.; Valle G, E. del
2003-01-01
There are carried out charge and energy calculations deposited due to the interaction of electrons with a plate of a certain material, solving numerically the electron transport equation for the Boltzmann-Fokker-Planck approach of first order in plate geometry with a computer program denominated TEOD-NodExp (Transport of Electrons in Discreet Ordinates, Nodal Exponentials), using the proposed method by the Dr. J. E. Morel to carry out the discretization of the variable energy and several spatial discretization schemes, denominated exponentials nodal. It is used the Fokker-Planck equation since it represents an approach of the Boltzmann transport equation that is been worth whenever it is predominant the dispersion of small angles, that is to say, resulting dispersion in small dispersion angles and small losses of energy in the transport of charged particles. Such electrons could be those that they face with a braking plate in a device of thermonuclear fusion. In the present work its are considered electrons of 1 MeV that impact isotropically on an aluminum plate. They were considered three different thickness of plate that its were designated as problems 1, 2 and 3. In the calculations it was used the discrete ordinate method S 4 with expansions of the dispersion cross sections until P 3 order. They were considered 25 energy groups of uniform size between the minimum energy of 0.1 MeV and the maximum of 1.0 MeV; the one spatial intervals number it was considered variable and it was assigned the values of 10, 20 and 30. (Author)
An introduction to the theory of the Boltzmann equation
Harris, Stewart
2011-01-01
Boltzmann's equation (or Boltzmann-like equations) appears extensively in such disparate fields as laser scattering, solid-state physics, nuclear transport, and beyond the conventional boundaries of physics and engineering, in the fields of cellular proliferation and automobile traffic flow. This introductory graduate-level course for students of physics and engineering offers detailed presentations of the basic modern theory of Boltzmann's equation, including representative applications using both Boltzmann's equation and the model Boltzmann equations developed within the text. It emphasizes
International Nuclear Information System (INIS)
Tripathy, S.; Tiwari, S.K.; Younus, M.; Sahoo, R.
2017-01-01
One of the major goals in heavy-ion physics is to understand the properties of Quark Gluon Plasma (QGP), a deconfined hot and dense state of quarks and gluons existed shortly after the Big Bang. In the present scenario, the high-energy particle accelerators are able to reach energies where this extremely dense nuclear matter can be probed for a short time. Here, we follow our earlier works which use non-extensive statistics in Boltzmann Transport Equation (BTE). We represent the initial distribution of particles with the help of Tsallis power law distribution parameterized by the nonextensive parameter q and the Tsallis temperature T, remembering the fact that their origin is due to hard scatterings. We use the initial distribution (f in ) with Relaxation Time Approximation (RTA) of the BTE and calculate the final distribution (f fin ). Then we calculate ν 2 of the system using the final distribution in the definition of ν2
Solution of the Boltzmann equation for primary light ions and the transport of their fragments
Directory of Open Access Journals (Sweden)
J. Kempe
2010-10-01
Full Text Available The Boltzmann equation for the transport of pencil beams of light ions in semi-infinite uniform media has been calculated. The equation is solved for the practically important generalized 3D case of Gaussian incident primary light ion beams of arbitrary mean square radius, mean square angular spread, and covariance. The transport of the associated fragments in three dimensions is derived based on the known transport of the primary particles, taking the mean square angular spread of their production processes, as well as their energy loss and multiple scattering, into account. The analytical pencil and broad beam depth fluence and absorbed dose distributions are accurately expressed using recently derived analytical energy and range formulas. The contributions from low and high linear energy transfer (LET dose components were separately identified using analytical expressions. The analytical results are compared with SHIELD-HIT Monte Carlo (MC calculations and found to be in very good agreement. The pencil beam fluence and absorbed dose distributions of the primary particles are mainly influenced by an exponential loss of the primary ions combined with an increasing lateral spread due to multiple scattering and energy loss with increasing penetration depth. The associated fluence of heavy fragments is concentrated at small radii and so is the LET and absorbed dose distribution. Their transport is also characterized by the buildup of a slowing down spectrum which is quite similar to that of the primaries but with a wider energy and angular spread at increasing penetration depths. The range of the fragments is shorter or longer depending on their nuclear mass to charge ratio relative to that of the primary ions. The absorbed dose of the heavier fragments is fairly similar to that of the primary ions and also influenced by a rapidly increasing energy loss towards the end of their ranges. The present analytical solution of the Boltzmann equation
Energy Technology Data Exchange (ETDEWEB)
Ortega J, R.; Valle G, E. del [IPN-ESFM, 07738 Mexico D.F. (Mexico)]. e-mail: roj@correo.azc.uam.mx
2003-07-01
There are carried out charge and energy calculations deposited due to the interaction of electrons with a plate of a certain material, solving numerically the electron transport equation for the Boltzmann-Fokker-Planck approach of first order in plate geometry with a computer program denominated TEOD-NodExp (Transport of Electrons in Discreet Ordinates, Nodal Exponentials), using the proposed method by the Dr. J. E. Morel to carry out the discretization of the variable energy and several spatial discretization schemes, denominated exponentials nodal. It is used the Fokker-Planck equation since it represents an approach of the Boltzmann transport equation that is been worth whenever it is predominant the dispersion of small angles, that is to say, resulting dispersion in small dispersion angles and small losses of energy in the transport of charged particles. Such electrons could be those that they face with a braking plate in a device of thermonuclear fusion. In the present work its are considered electrons of 1 MeV that impact isotropically on an aluminum plate. They were considered three different thickness of plate that its were designated as problems 1, 2 and 3. In the calculations it was used the discrete ordinate method S{sub 4} with expansions of the dispersion cross sections until P{sub 3} order. They were considered 25 energy groups of uniform size between the minimum energy of 0.1 MeV and the maximum of 1.0 MeV; the one spatial intervals number it was considered variable and it was assigned the values of 10, 20 and 30. (Author)
Kinetic Boltzmann, Vlasov and Related Equations
Sinitsyn, Alexander; Vedenyapin, Victor
2011-01-01
Boltzmann and Vlasov equations played a great role in the past and still play an important role in modern natural sciences, technique and even philosophy of science. Classical Boltzmann equation derived in 1872 became a cornerstone for the molecular-kinetic theory, the second law of thermodynamics (increasing entropy) and derivation of the basic hydrodynamic equations. After modifications, the fields and numbers of its applications have increased to include diluted gas, radiation, neutral particles transportation, atmosphere optics and nuclear reactor modelling. Vlasov equation was obtained in
Guo, Yangyu; Wang, Moran
2017-10-01
The single mode relaxation time approximation has been demonstrated to greatly underestimate the lattice thermal conductivity of two-dimensional materials due to the collective effect of phonon normal scattering. Callaway's dual relaxation model represents a good approximation to the otherwise ab initio solution of the phonon Boltzmann equation. In this work we develop a discrete-ordinate-method (DOM) scheme for the numerical solution of the phonon Boltzmann equation under Callaway's model. Heat transport in a graphene ribbon with different geometries is modeled by our scheme, which produces results quite consistent with the available molecular dynamics, Monte Carlo simulations, and experimental measurements. Callaway's lattice thermal conductivity model with empirical boundary scattering rates is examined and shown to overestimate or underestimate the direct DOM solution. The length convergence of the lattice thermal conductivity of a rectangular graphene ribbon is explored and found to depend appreciably on the ribbon width, with a semiquantitative correlation provided between the convergence length and the width. Finally, we predict the existence of a phonon Knudsen minimum in a graphene ribbon only at a low system temperature and isotope concentration so that the average normal scattering rate is two orders of magnitude stronger than the intrinsic resistive one. The present work will promote not only the methodology for the solution of the phonon Boltzmann equation but also the theoretical modeling and experimental detection of hydrodynamic phonon transport in two-dimensional materials.
A high-order Petrov-Galerkin method for the Boltzmann transport equation
International Nuclear Information System (INIS)
Pain, C.C.; Candy, A.S.; Piggott, M.D.; Buchan, A.; Eaton, M.D.; Goddard, A.J.H.; Oliveira, C.R.E. de
2005-01-01
We describe a new Petrov-Galerkin method using high-order terms to introduce dissipation in a residual-free formulation. The method is developed following both a Taylor series analysis and a variational principle, and the result has much in common with traditional Petrov-Galerkin, Self Adjoint Angular Flux (SAAF) and Even Parity forms of the Boltzmann transport equation. In addition, we consider the subtleties in constructing appropriate boundary conditions. In sub-grid scale (SGS) modelling of fluids the advantages of high-order dissipation are well known. Fourth-order terms, for example, are commonly used as a turbulence model with uniform dissipation. They have been shown to have superior properties to SGS models based upon second-order dissipation or viscosity. Even higher-order forms of dissipation (e.g. 16.-order) can offer further advantages, but are only easily realised by spectral methods because of the solution continuity requirements that these higher-order operators demand. Higher-order operators are more effective, bringing a higher degree of representation to the solution locally. Second-order operators, for example, tend to relax the solution to a linear variation locally, whereas a high-order operator will tend to relax the solution to a second-order polynomial locally. The form of the dissipation is also important. For example, the dissipation may only be applied (as it is in this work) in the streamline direction. While for many problems, for example Large Eddy Simulation (LES), simply adding a second or fourth-order dissipation term is a perfectly satisfactory SGS model, it is well known that a consistent residual-free formulation is required for radiation transport problems. This motivated the consideration of a new Petrov-Galerkin method that is residual-free, but also benefits from the advantageous features that SGS modelling introduces. We close with a demonstration of the advantages of this new discretization method over standard Petrov
Energy Technology Data Exchange (ETDEWEB)
Lloyd, S. A. M.; Ansbacher, W. [Department of Physics and Astronomy, University of Victoria, Victoria, British Columbia V8W 3P6 (Canada); Department of Physics and Astronomy, University of Victoria, Victoria, British Columbia V8W 3P6 (Canada) and Department of Medical Physics, British Columbia Cancer Agency-Vancouver Island Centre, Victoria, British Columbia V8R 6V5 (Canada)
2013-01-15
Purpose: Acuros external beam (Acuros XB) is a novel dose calculation algorithm implemented through the ECLIPSE treatment planning system. The algorithm finds a deterministic solution to the linear Boltzmann transport equation, the same equation commonly solved stochastically by Monte Carlo methods. This work is an evaluation of Acuros XB, by comparison with Monte Carlo, for dose calculation applications involving high-density materials. Existing non-Monte Carlo clinical dose calculation algorithms, such as the analytic anisotropic algorithm (AAA), do not accurately model dose perturbations due to increased electron scatter within high-density volumes. Methods: Acuros XB, AAA, and EGSnrc based Monte Carlo are used to calculate dose distributions from 18 MV and 6 MV photon beams delivered to a cubic water phantom containing a rectangular high density (4.0-8.0 g/cm{sup 3}) volume at its center. The algorithms are also used to recalculate a clinical prostate treatment plan involving a unilateral hip prosthesis, originally evaluated using AAA. These results are compared graphically and numerically using gamma-index analysis. Radio-chromic film measurements are presented to augment Monte Carlo and Acuros XB dose perturbation data. Results: Using a 2% and 1 mm gamma-analysis, between 91.3% and 96.8% of Acuros XB dose voxels containing greater than 50% the normalized dose were in agreement with Monte Carlo data for virtual phantoms involving 18 MV and 6 MV photons, stainless steel and titanium alloy implants and for on-axis and oblique field delivery. A similar gamma-analysis of AAA against Monte Carlo data showed between 80.8% and 87.3% agreement. Comparing Acuros XB and AAA evaluations of a clinical prostate patient plan involving a unilateral hip prosthesis, Acuros XB showed good overall agreement with Monte Carlo while AAA underestimated dose on the upstream medial surface of the prosthesis due to electron scatter from the high-density material. Film measurements
Numerical solution of Boltzmann's equation
International Nuclear Information System (INIS)
Sod, G.A.
1976-04-01
The numerical solution of Boltzmann's equation is considered for a gas model consisting of rigid spheres by means of Hilbert's expansion. If only the first two terms of the expansion are retained, Boltzmann's equation reduces to the Boltzmann-Hilbert integral equation. Successive terms in the Hilbert expansion are obtained by solving the same integral equation with a different source term. The Boltzmann-Hilbert integral equation is solved by a new very fast numerical method. The success of the method rests upon the simultaneous use of four judiciously chosen expansions; Hilbert's expansion for the distribution function, another expansion of the distribution function in terms of Hermite polynomials, the expansion of the kernel in terms of the eigenvalues and eigenfunctions of the Hilbert operator, and an expansion involved in solving a system of linear equations through a singular value decomposition. The numerical method is applied to the study of the shock structure in one space dimension. Numerical results are presented for Mach numbers of 1.1 and 1.6. 94 refs, 7 tables, 1 fig
International Nuclear Information System (INIS)
Mirza, Anwar M.; Iqbal, Shaukat; Rahman, Faizur
2007-01-01
A spatially adaptive grid-refinement approach has been investigated to solve the even-parity Boltzmann transport equation. A residual based a posteriori error estimation scheme has been utilized for checking the approximate solutions for various finite element grids. The local particle balance has been considered as an error assessment criterion. To implement the adaptive approach, a computer program ADAFENT (adaptive finite elements for neutron transport) has been developed to solve the second order even-parity Boltzmann transport equation using K + variational principle for slab geometry. The program has a core K + module which employs Lagrange polynomials as spatial basis functions for the finite element formulation and Legendre polynomials for the directional dependence of the solution. The core module is called in by the adaptive grid generator to determine local gradients and residuals to explore the possibility of grid refinements in appropriate regions of the problem. The a posteriori error estimation scheme has been implemented in the outer grid refining iteration module. Numerical experiments indicate that local errors are large in regions where the flux gradients are large. A comparison of the spatially adaptive grid-refinement approach with that of uniform meshing approach for various benchmark cases confirms its superiority in greatly enhancing the accuracy of the solution without increasing the number of unknown coefficients. A reduction in the local errors of the order of 10 2 has been achieved using the new approach in some cases
Energy Technology Data Exchange (ETDEWEB)
Mirza, Anwar M. [Department of Computer Science, National University of Computer and Emerging Sciences, NUCES-FAST, A.K. Brohi Road, H-11, Islamabad (Pakistan)], E-mail: anwar.m.mirza@gmail.com; Iqbal, Shaukat [Faculty of Computer Science and Engineering, Ghulam Ishaq Khan (GIK) Institute of Engineering Science and Technology, Topi-23460, Swabi (Pakistan)], E-mail: shaukat@giki.edu.pk; Rahman, Faizur [Department of Physics, Allama Iqbal Open University, H-8 Islamabad (Pakistan)
2007-07-15
A spatially adaptive grid-refinement approach has been investigated to solve the even-parity Boltzmann transport equation. A residual based a posteriori error estimation scheme has been utilized for checking the approximate solutions for various finite element grids. The local particle balance has been considered as an error assessment criterion. To implement the adaptive approach, a computer program ADAFENT (adaptive finite elements for neutron transport) has been developed to solve the second order even-parity Boltzmann transport equation using K{sup +} variational principle for slab geometry. The program has a core K{sup +} module which employs Lagrange polynomials as spatial basis functions for the finite element formulation and Legendre polynomials for the directional dependence of the solution. The core module is called in by the adaptive grid generator to determine local gradients and residuals to explore the possibility of grid refinements in appropriate regions of the problem. The a posteriori error estimation scheme has been implemented in the outer grid refining iteration module. Numerical experiments indicate that local errors are large in regions where the flux gradients are large. A comparison of the spatially adaptive grid-refinement approach with that of uniform meshing approach for various benchmark cases confirms its superiority in greatly enhancing the accuracy of the solution without increasing the number of unknown coefficients. A reduction in the local errors of the order of 10{sup 2} has been achieved using the new approach in some cases.
Carrete, Jesús; Vermeersch, Bjorn; Katre, Ankita; van Roekeghem, Ambroise; Wang, Tao; Madsen, Georg K. H.; Mingo, Natalio
2017-11-01
almaBTE is a software package that solves the space- and time-dependent Boltzmann transport equation for phonons, using only ab-initio calculated quantities as inputs. The program can predictively tackle phonon transport in bulk crystals and alloys, thin films, superlattices, and multiscale structures with size features in the nm- μm range. Among many other quantities, the program can output thermal conductances and effective thermal conductivities, space-resolved average temperature profiles, and heat-current distributions resolved in frequency and space. Its first-principles character makes almaBTE especially well suited to investigate novel materials and structures. This article gives an overview of the program structure and presents illustrative examples for some of its uses. PROGRAM SUMMARY Program Title:almaBTE Program Files doi:http://dx.doi.org/10.17632/8tfzwgtp73.1 Licensing provisions: Apache License, version 2.0 Programming language: C++ External routines/libraries: BOOST, MPI, Eigen, HDF5, spglib Nature of problem: Calculation of temperature profiles, thermal flux distributions and effective thermal conductivities in structured systems where heat is carried by phonons Solution method: Solution of linearized phonon Boltzmann transport equation, Variance-reduced Monte Carlo
Konovalov, Dmitry A.; Cocks, Daniel G.; White, Ronald D.
2017-10-01
The velocity distribution function and transport coefficients for charged particles in weakly ionized plasmas are calculated via a multi-term solution of Boltzmann's equation and benchmarked using a Monte-Carlo simulation. A unified framework for the solution of the original full Boltzmann's equation is presented which is valid for ions and electrons, avoiding any recourse to approximate forms of the collision operator in various limiting mass ratio cases. This direct method using Lebedev quadratures over the velocity and scattering angles avoids the need to represent the ion mass dependence in the collision operator through an expansion in terms of the charged particle to neutral mass ratio. For the two-temperature Burnett function method considered in this study, this amounts to avoiding the need for the complex Talmi-transformation methods and associated mass-ratio expansions. More generally, we highlight the deficiencies in the two-temperature Burnett function method for heavy ions at high electric fields to calculate the ion velocity distribution function, even though the transport coefficients have converged. Contribution to the Topical Issue "Physics of Ionized Gases (SPIG 2016)", edited by Goran Poparic, Bratislav Obradovic, Dragana Maric and Aleksandar Milosavljevic.
International Nuclear Information System (INIS)
Bowyer, M.D.J.; Ashworth, D.G.; Oven, R.
1992-01-01
In this paper we study solutions to the backward Boltzmann transport equation (BBTE) specialized to equations governing moments of the distribution of ions implanted into amorphous targets. A central moment integral equation set has been derived starting from the classical plane source BBTE for non-central moments. A full generator equation is provided to allow construction of equation sets of an arbitrary size, thus allowing computation of moments of arbitrary order. A BBTE solver program has been written that uses the residual correction technique proposed by Winterbon. A simple means is presented to allow direct incorporation of Biersack's two-parameter ''magic formula'' into a BBTE solver program. Results for non-central and central moment integral equation sets are compared with Monte Carlo simulations, using three different formulae for the mean free flight path between collisions. Comparisons are performed for the ions B and As, implanted into the target a-Si, over the energy range 1 keV-1 MeV. The central moment integral equation set is found to have superior convergence properties to the non-central moment equation set. For As ions implanted into a-Si, at energies below ∼ 30 keV, significant differences are observed, for third- and fourth-order moments, when using alternative versions for the mean free flight path. Third- and fourth-order moments derived using one- and two-parameter scattering mechanisms also show significant differences over the same energy range. (Author)
Painleve test and discrete Boltzmann equations
International Nuclear Information System (INIS)
Euler, N.; Steeb, W.H.
1989-01-01
The Painleve test for various discrete Boltzmann equations is performed. The connection with integrability is discussed. Furthermore the Lie symmetry vector fields are derived and group-theoretical reduction of the discrete Boltzmann equations to ordinary differentiable equations is performed. Lie Backlund transformations are gained by performing the Painleve analysis for the ordinary differential equations. 16 refs
Global existence proof for relativistic Boltzmann equation
International Nuclear Information System (INIS)
Dudynski, M.; Ekiel-Jezewska, M.L.
1992-01-01
The existence and causality of solutions to the relativistic Boltzmann equation in L 1 and in L loc 1 are proved. The solutions are shown to satisfy physically natural a priori bounds, time-independent in L 1 . The results rely upon new techniques developed for the nonrelativistic Boltzmann equation by DiPerna and Lions
International Nuclear Information System (INIS)
Priimak, Dmitri
2014-01-01
We present a finite difference numerical algorithm for solving two dimensional spatially homogeneous Boltzmann transport equation which describes electron transport in a semiconductor superlattice subject to crossed time dependent electric and constant magnetic fields. The algorithm is implemented both in C language targeted to CPU and in CUDA C language targeted to commodity NVidia GPU. We compare performances and merits of one implementation versus another and discuss various software optimisation techniques
Energy Technology Data Exchange (ETDEWEB)
Priimak, Dmitri
2014-12-01
We present a finite difference numerical algorithm for solving two dimensional spatially homogeneous Boltzmann transport equation which describes electron transport in a semiconductor superlattice subject to crossed time dependent electric and constant magnetic fields. The algorithm is implemented both in C language targeted to CPU and in CUDA C language targeted to commodity NVidia GPU. We compare performances and merits of one implementation versus another and discuss various software optimisation techniques.
The polaron problem and the Boltzmann equation
International Nuclear Information System (INIS)
Devreese, J.
1979-01-01
A mobility theory for the Feynman polaron is developed. It is shown that the Boltzmann equation for polarons is valid for weak coupling and not too high electric fields. The analytical results indicate that for E → 0 the relaxation time approximation is valid. A comparison is made of three methods to calculate the mobility in a linear electron transport theory. An approximation to the Kubo formula, a mobility calculation using path integrals by Feynman and a calculation based on the displaced Maxwell distribution function are considered. The three methods lead to equivalent results in the weak scattering and small electric field limit
Singularities in the nonisotropic Boltzmann equation
International Nuclear Information System (INIS)
Garibotti, C.R.; Martiarena, M.L.; Zanette, D.
1987-09-01
We consider solutions of the nonlinear Boltzmann equation (NLBE) with anisotropic singular initial conditions, which give a simplified model for the penetration of a monochromatic beam on a rarified target. The NLBE is transformed into an integral equation which is solved iteratively and the evolution of the initial singularities is discussed. (author). 5 refs
The Boltzmann equation in the difference formulation
Energy Technology Data Exchange (ETDEWEB)
Szoke, Abraham [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Brooks III, Eugene D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2015-05-06
First we recall the assumptions that are needed for the validity of the Boltzmann equation and for the validity of the compressible Euler equations. We then present the difference formulation of these equations and make a connection with the time-honored Chapman - Enskog expansion. We discuss the hydrodynamic limit and calculate the thermal conductivity of a monatomic gas, using a simplified approximation for the collision term. Our formulation is more consistent and simpler than the traditional derivation.
Boltzmann-Langevin equation, dynamical instability and multifragmentation
International Nuclear Information System (INIS)
Feng-Shou Zhang
1993-02-01
By using simulations of the Boltzmann-Langevin equation which incorporates dynamical fluctuations beyond usual transport theories and by coupling it with a coalescence model, we obtain information on multifragmentation in heavy-ion collisions. From a calculation of the 40 Ca + 40 Ca system, we recover some trends of recent multifragmentation data
Simplified simulation of Boltzmann-Langevin equation
International Nuclear Information System (INIS)
Ayik, S.; Randrup, J.
1994-01-01
We briefly recall the Boltzmann-Langevin model of nuclear dynamics. We then summarize recent progress in deriving approximate analytical expressions for the associated transport coefficients and describe a numerical method for simulating the stochastic evolution of the phase-space density. (orig.)
Non-markovian boltzmann equation
International Nuclear Information System (INIS)
Kremp, D.; Bonitz, M.; Kraeft, W.D.; Schlanges, M.
1997-01-01
A quantum kinetic equation for strongly interacting particles (generalized binary collision approximation, ladder or T-matrix approximation) is derived in the framework of the density operator technique. In contrast to conventional kinetic theory, which is valid on large time scales as compared to the collision (correlation) time only, our approach retains the full time dependencies, especially also on short time scales. This means retardation and memory effects resulting from the dynamics of binary correlations and initial correlations are included. Furthermore, the resulting kinetic equation conserves total energy (the sum of kinetic and potential energy). The second aspect of generalization is the inclusion of many-body effects, such as self-energy, i.e., renormalization of single-particle energies and damping. To this end we introduce an improved closure relation to the Bogolyubov endash Born endash Green endash Kirkwood endash Yvon hierarchy. Furthermore, in order to express the collision integrals in terms of familiar scattering quantities (Mo/ller operator, T-matrix), we generalize the methods of quantum scattering theory by the inclusion of medium effects. To illustrate the effects of memory and damping, the results of numerical simulations are presented. copyright 1997 Academic Press, Inc
A new lattice Boltzmann equation to simulate density-driven convection of carbon dioxide
Allen, Rebecca; Reis, Tim; Sun, Shuyu
2013-01-01
-driven convection becomes an important transport process to model. However, the challenge lies in simulating this transport process accurately with high spatial resolution and low CPU cost. This issue can be addressed by using the lattice Boltzmann equation (LBE
Choi, Garam; Lee, Won Bo
Metal alloys, especially Al-based, are commonly-used materials for various industrial applications. In this paper, the Al-Cu alloys with varying the Al-Cu ratio were investigated based on the first-principle calculation using density functional theory. And the electronic transport properties of the Al-Cu alloys were carried out using Boltzmann transport theory. From the results, the transport properties decrease with Cu-containing ratio at the temperature from moderate to high, but with non-linearity. It is inferred by various scattering effects from the calculation results with relaxation time approximation. For the Al-Cu alloy system, where it is hard to find the reliable experimental data for various alloys, it supports understanding and expectation for the thermal electrical properties from the theoretical prediction. Theoretical and computational soft matters laboratory.
International Nuclear Information System (INIS)
Prinja, A.K.
1995-08-01
We have developed and successfully implemented a two-dimensional bilinear discontinuous in space and time, used in conjunction with the S N angular approximation, to numerically solve the time dependent, one-dimensional, one-speed, slab geometry, (ion) transport equation. Numerical results and comparison with analytical solutions have shown that the bilinear-discontinuous (BLD) scheme is third-order accurate in the space ad time dimensions independently. Comparison of the BLD results with diamond-difference methods indicate that the BLD method is both quantitavely and qualitatively superior to the DD scheme. We note that the form of the transport operator is such that these conclusions carry over to energy dependent problems that include the constant-slowing-down-approximation term, and to multiple space dimensions or combinations thereof. An optimized marching or inversion scheme or a parallel algorithm should be investigated to determine if the increased accuracy can compensate for the extra overhead required for a BLD solution, and then could be compared to other discretization methods such as nodal or characteristic schemes
Metamaterial characterization using Boltzmann's kinetic equation for electrons
DEFF Research Database (Denmark)
Novitsky, Andrey; Zhukovsky, Sergei; Novitsky, D.
2013-01-01
Statistical properties of electrons in metals are taken into consideration to describe the microscopic motion of electrons. Assuming degenerate electron gas in metal, we introduce the Boltzmann kinetic equation to supplement Maxwell's equations. The solution of these equations clearly shows...
International Nuclear Information System (INIS)
Schwenk, G.A. Jr.
1980-01-01
The calculation of neutron-nuclei reaction rates in the lower resolved resonance region (167 eV - 1.855 eV) is considered in this dissertation. Particular emphasis is placed on the calculation of these reaction rates for tight lattices where their accuracy is most important. The results of the continuous energy Monte Carlo code, VIM, are chosen as reference values for this study. The primary objective of this work is to develop a method for calculating resonance reaction rates which agree well with the reference solution, yet is efficient enough to be used by nuclear reactor fuel cycle designers on a production basis. A very efficient multigroup solution of the two spatial region energy dependent integral transport equation is developed. This solution, denoted the Broad Group Integral Method (BGIM), uses escape probabilities to obtain the spatial coupling between regions and uses an analytical flux shape within a multigroup to obtain weighted cross sections which account for the rapidly varying resonance cross sections. The multigroup lethargy widths chosen for the numerical integration of the two region energy-dependent neutron continuity equations can be chosen much wider (a factor of 30 larger) than in the direct numerical integration methods since the analytical flux shape is used to account for fine structure effects. The BGIM solution is made highly efficient through the use of these broad groups. It is estimated that for a 10 step unit cell fuel cycle depletion calculation, the computer running time for a production code such as EPRI-LEOPARD would be increased by only 6% through the use of the more accurate and intricate BGIM method in the lower resonance energy region
Ness, K. F.; Robson, R. E.; Brunger, M. J.; White, R. D.
2012-01-01
This paper revisits the issues surrounding computation of electron transport properties in water vapour as a function of E/n0 (the ratio of the applied electric field to the water vapour number density) up to 1200 Td. We solve the Boltzmann equation using an improved version of the code of Ness and Robson [Phys. Rev. A 38, 1446 (1988)], facilitating the calculation of transport coefficients to a considerably higher degree of accuracy. This allows a correspondingly more discriminating test of the various electron-water vapour cross section sets proposed by a number of authors, which has become an important issue as such sets are now being applied to study electron driven processes in atmospheric phenomena [P. Thorn, L. Campbell, and M. Brunger, PMC Physics B 2, 1 (2009)] and in modeling charged particle tracks in matter [A. Munoz, F. Blanco, G. Garcia, P. A. Thorn, M. J. Brunger, J. P. Sullivan, and S. J. Buckman, Int. J. Mass Spectrom. 277, 175 (2008)].
Supersymmetric electroweak baryogenesis, nonequilibrium field theory and quantum Boltzmann equations
Riotto, Antonio
1998-01-01
The closed time-path (CPT) formalism is a powerful Green's function formulation to describe nonequilibrium phenomena in field theory and it leads to a complete nonequilibrium quantum kinetic theory. In this paper we make use of the CPT formalism to write down a set of quantum Boltzmann equations describing the local number density asymmetries of the particles involved in supersymmetric electroweak baryogenesis. These diffusion equations automatically and self-consistently incorporate the CP-violating sources which fuel baryogenesis when transport properties allow the CP-violating charges to diffuse in front of the bubble wall separating the broken from the unbroken phase at the electroweak phase transition. This is a significant improvement with respect to recent approaches where the CP-violating sources are inserted by hand into the diffusion equations. Furthermore, the CP-violating sources and the particle number changing interactions manifest ``memory'' effects which are typical of the quantum transp ort t...
Exact results for the Boltzmann equation and Smoluchowski's coagulation equation
International Nuclear Information System (INIS)
Hendriks, E.M.
1983-01-01
Almost no analytical solutions have been found for realistic intermolecular forces, largely due to the complicated structure of the collision term which calls for the construction of simplified models, in which as many physical properties are maintained as possible. In the first three chapters of this thesis such model Boltzmann equations are studied. Only spatially homogeneous gases with isotropic distribution functions are considered. Chapter I considers transition kernels, chapter II persistent scattering models and chapter III very hard particles. The second part of this dissertation deals with Smoluchowski's coagulation equation for the size distribution function in a coagulating system, with chapters devoted to the following topics: kinetics of gelation and universality, coagulation equations with gelation and exactly soluble models of nucleation. (Auth./C.F.)
Axisymmetric multiphase lattice Boltzmann method for generic equations of state
Reijers, S.A.; Gelderblom, H.; Toschi, F.
2016-01-01
We present an axisymmetric lattice Boltzmann model based on the Kupershtokh et al. multiphase model that is capable of solving liquid–gas density ratios up to 103. Appropriate source terms are added to the lattice Boltzmann evolution equation to fully recover the axisymmetric multiphase conservation
General relativistic Boltzmann equation, II: Manifestly covariant treatment
Debbasch, F.; van Leeuwen, W.A.
2009-01-01
In a preceding article we presented a general relativistic treatment of the derivation of the Boltzmann equation. The four-momenta occurring in this formalism were all on-shell four-momenta, verifying the mass-shell restriction p(2) = m(2)c(2). Due to this restriction, the resulting Boltzmann
Thermal equation of state for lattice Boltzmann gases
International Nuclear Information System (INIS)
Zheng, Ran
2009-01-01
The Galilean invariance and the induced thermo-hydrodynamics of the lattice Boltzmann Bhatnagar–Gross–Krook model are proposed together with their rigorous theoretical background. From the viewpoint of group invariance, recovering the Galilean invariance for the isothermal lattice Boltzmann Bhatnagar–Gross–Krook equation (LBGKE) induces a new natural thermal-dynamical system, which is compatible with the elementary statistical thermodynamics
Energy Technology Data Exchange (ETDEWEB)
Yang, R [University of Alberta, Edmonton, AB (Canada); Fallone, B [University of Alberta, Edmonton, AB (Canada); Cross Cancer Institute, Edmonton, AB (Canada); MagnetTx Oncology Solutions, Edmonton, AB (Canada); St Aubin, J [University of Alberta, Edmonton, AB (Canada); Cross Cancer Institute, Edmonton, AB (Canada)
2016-06-15
Purpose: To develop a Graphic Processor Unit (GPU) accelerated deterministic solution to the Linear Boltzmann Transport Equation (LBTE) for accurate dose calculations in radiotherapy (RT). A deterministic solution yields the potential for major speed improvements due to the sparse matrix-vector and vector-vector multiplications and would thus be of benefit to RT. Methods: In order to leverage the massively parallel architecture of GPUs, the first order LBTE was reformulated as a second order self-adjoint equation using the Least Squares Finite Element Method (LSFEM). This produces a symmetric positive-definite matrix which is efficiently solved using a parallelized conjugate gradient (CG) solver. The LSFEM formalism is applied in space, discrete ordinates is applied in angle, and the Multigroup method is applied in energy. The final linear system of equations produced is tightly coupled in space and angle. Our code written in CUDA-C was benchmarked on an Nvidia GeForce TITAN-X GPU against an Intel i7-6700K CPU. A spatial mesh of 30,950 tetrahedral elements was used with an S4 angular approximation. Results: To avoid repeating a full computationally intensive finite element matrix assembly at each Multigroup energy, a novel mapping algorithm was developed which minimized the operations required at each energy. Additionally, a parallelized memory mapping for the kronecker product between the sparse spatial and angular matrices, including Dirichlet boundary conditions, was created. Atomicity is preserved by graph-coloring overlapping nodes into separate kernel launches. The one-time mapping calculations for matrix assembly, kronecker product, and boundary condition application took 452±1ms on GPU. Matrix assembly for 16 energy groups took 556±3s on CPU, and 358±2ms on GPU using the mappings developed. The CG solver took 93±1s on CPU, and 468±2ms on GPU. Conclusion: Three computationally intensive subroutines in deterministically solving the LBTE have been
Boltzmann equations for a binary one-dimensional ideal gas.
Boozer, A D
2011-09-01
We consider a time-reversal invariant dynamical model of a binary ideal gas of N molecules in one spatial dimension. By making time-asymmetric assumptions about the behavior of the gas, we derive Boltzmann and anti-Boltzmann equations that describe the evolution of the single-molecule velocity distribution functions for an ensemble of such systems. We show that for a special class of initial states of the ensemble one can obtain an exact expression for the N-molecule velocity distribution function, and we use this expression to rigorously prove that the time-asymmetric assumptions needed to derive the Boltzmann and anti-Boltzmann equations hold in the limit of large N. Our results clarify some subtle issues regarding the origin of the time asymmetry of Boltzmann's H theorem.
Normal solutions of the Boltzmann equation with small Knudsen number
International Nuclear Information System (INIS)
Ding, E.J.; Huang, Z.Q.
1986-01-01
A singular perturbation method is used to find the normal solutions of the Boltzmann equation with small Knudsen number. It is proved that the secular terms may be removed by improving the Hilbert expansion and the Enskog expansion
Exact solutions for some discrete models of the Boltzmann equation
International Nuclear Information System (INIS)
Cabannes, H.; Hong Tiem, D.
1987-01-01
For the simplest of the discrete models of the Boltzmann equation: the Broadwell model, exact solutions have been obtained by Cornille in the form of bisolitons. In the present Note, we build exact solutions for more complex models [fr
Energy Technology Data Exchange (ETDEWEB)
Uchaikin, V V; Sibatov, R T, E-mail: vuchaikin@gmail.com, E-mail: ren_sib@bk.ru [Ulyanovsk State University, 432000, 42 Leo Tolstoy str., Ulyanovsk (Russian Federation)
2011-04-08
The fractional Boltzmann equation for resonance radiation transport in plasma is proposed. We start with the standard Boltzmann equation; averaging over photon frequencies leads to the appearance of a fractional derivative. This fact is in accordance with the conception of latent variables leading to hereditary and non-local dynamics (in particular, fractional dynamics). The presence of a fractional material derivative in the equation is concordant with heavy tailed distribution of photon path lengths and with spatiotemporal coupling peculiar to the process. We discuss some methods of solving the obtained equation and demonstrate numerical results in some simple cases.
International Nuclear Information System (INIS)
Uchaikin, V V; Sibatov, R T
2011-01-01
The fractional Boltzmann equation for resonance radiation transport in plasma is proposed. We start with the standard Boltzmann equation; averaging over photon frequencies leads to the appearance of a fractional derivative. This fact is in accordance with the conception of latent variables leading to hereditary and non-local dynamics (in particular, fractional dynamics). The presence of a fractional material derivative in the equation is concordant with heavy tailed distribution of photon path lengths and with spatiotemporal coupling peculiar to the process. We discuss some methods of solving the obtained equation and demonstrate numerical results in some simple cases.
Analysis of spectral methods for the homogeneous Boltzmann equation
Filbet, Francis
2011-04-01
The development of accurate and fast algorithms for the Boltzmann collision integral and their analysis represent a challenging problem in scientific computing and numerical analysis. Recently, several works were devoted to the derivation of spectrally accurate schemes for the Boltzmann equation, but very few of them were concerned with the stability analysis of the method. In particular there was no result of stability except when the method was modified in order to enforce the positivity preservation, which destroys the spectral accuracy. In this paper we propose a new method to study the stability of homogeneous Boltzmann equations perturbed by smoothed balanced operators which do not preserve positivity of the distribution. This method takes advantage of the "spreading" property of the collision, together with estimates on regularity and entropy production. As an application we prove stability and convergence of spectral methods for the Boltzmann equation, when the discretization parameter is large enough (with explicit bound). © 2010 American Mathematical Society.
Analysis of spectral methods for the homogeneous Boltzmann equation
Filbet, Francis; Mouhot, Clé ment
2011-01-01
The development of accurate and fast algorithms for the Boltzmann collision integral and their analysis represent a challenging problem in scientific computing and numerical analysis. Recently, several works were devoted to the derivation of spectrally accurate schemes for the Boltzmann equation, but very few of them were concerned with the stability analysis of the method. In particular there was no result of stability except when the method was modified in order to enforce the positivity preservation, which destroys the spectral accuracy. In this paper we propose a new method to study the stability of homogeneous Boltzmann equations perturbed by smoothed balanced operators which do not preserve positivity of the distribution. This method takes advantage of the "spreading" property of the collision, together with estimates on regularity and entropy production. As an application we prove stability and convergence of spectral methods for the Boltzmann equation, when the discretization parameter is large enough (with explicit bound). © 2010 American Mathematical Society.
Celebrating Cercignani's conjecture for the Boltzmann equation
Villani, Cédric
2011-01-01
Cercignani\\'s conjecture assumes a linear inequality between the entropy and entropy production functionals for Boltzmann\\'s nonlinear integral operator in rarefied gas dynamics. Related to the field of logarithmic Sobolev inequalities and spectral gap inequalities, this issue has been at the core of the renewal of the mathematical theory of convergence to thermodynamical equilibrium for rarefied gases over the past decade. In this review paper, we survey the various positive and negative results which were obtained since the conjecture was proposed in the 1980s. © American Institute of Mathematical Sciences.
The Lattice Boltzmann Method applied to neutron transport
International Nuclear Information System (INIS)
Erasmus, B.; Van Heerden, F. A.
2013-01-01
In this paper the applicability of the Lattice Boltzmann Method to neutron transport is investigated. One of the main features of the Lattice Boltzmann method is the simultaneous discretization of the phase space of the problem, whereby particles are restricted to move on a lattice. An iterative solution of the operator form of the neutron transport equation is presented here, with the first collision source as the starting point of the iteration scheme. A full description of the discretization scheme is given, along with the quadrature set used for the angular discretization. An angular refinement scheme is introduced to increase the angular coverage of the problem phase space and to mitigate lattice ray effects. The method is applied to a model problem to investigate its applicability to neutron transport and the results are compared to a reference solution calculated, using MCNP. (authors)
CMB spectral distortions as solutions to the Boltzmann equations
Energy Technology Data Exchange (ETDEWEB)
Ota, Atsuhisa, E-mail: a.ota@th.phys.titech.ac.jp [Department of Physics, Tokyo Institute of Technology, Tokyo 152-8551 (Japan)
2017-01-01
We propose to re-interpret the cosmic microwave background spectral distortions as solutions to the Boltzmann equation. This approach makes it possible to solve the second order Boltzmann equation explicitly, with the spectral y distortion and the momentum independent second order temperature perturbation, while generation of μ distortion cannot be explained even at second order in this framework. We also extend our method to higher order Boltzmann equations systematically and find new type spectral distortions, assuming that the collision term is linear in the photon distribution functions, namely, in the Thomson scattering limit. As an example, we concretely construct solutions to the cubic order Boltzmann equation and show that the equations are closed with additional three parameters composed of a cubic order temperature perturbation and two cubic order spectral distortions. The linear Sunyaev-Zel'dovich effect whose momentum dependence is different from the usual y distortion is also discussed in the presence of the next leading order Kompaneets terms, and we show that higher order spectral distortions are also generated as a result of the diffusion process in a framework of higher order Boltzmann equations. The method may be applicable to a wider class of problems and has potential to give a general prescription to non-equilibrium physics.
Celebrating Cercignani's conjecture for the Boltzmann equation
Villani, Cé dric; Mouhot, Clé ment; Desvillettes, Laurent
2011-01-01
Cercignani's conjecture assumes a linear inequality between the entropy and entropy production functionals for Boltzmann's nonlinear integral operator in rarefied gas dynamics. Related to the field of logarithmic Sobolev inequalities and spectral gap inequalities, this issue has been at the core of the renewal of the mathematical theory of convergence to thermodynamical equilibrium for rarefied gases over the past decade. In this review paper, we survey the various positive and negative results which were obtained since the conjecture was proposed in the 1980s. © American Institute of Mathematical Sciences.
New Monte Carlo approach to the adjoint Boltzmann equation
International Nuclear Information System (INIS)
De Matteis, A.; Simonini, R.
1978-01-01
A class of stochastic models for the Monte Carlo integration of the adjoint neutron transport equation is described. Some current general methods are brought within this class, thus preparing the ground for subsequent comparisons. Monte Carlo integration of the adjoint Boltzmann equation can be seen as a simulation of the transport of mathematical particles with reaction kernels not normalized to unity. This last feature is a source of difficulty: It can influence the variance of the result negatively and also often leads to preparation of special ''libraries'' consisting of tables of normalization factors as functions of energy, presently used by several methods. These are the two main points that are discussed and that are taken into account to devise a nonmultigroup method of solution for a certain class of problems. Reactions considered in detail are radiative capture, elastic scattering, discrete levels and continuum inelastic scattering, for which the need for tables has been almost completely eliminated. The basic policy pursued to avoid a source of statistical fluctuations is to try to make the statistical weight of the traveling particle dependent only on its starting and current energies, at least in simple cases. The effectiveness of the sampling schemes proposed is supported by numerical comparison with other more general adjoint Monte Carlo methods. Computation of neutron flux at a point by means of an adjoint formulation is the problem taken as a test for numerical experiments. Very good results have been obtained in the difficult case of resonant cross sections
Applications of Boltzmann Langevin equation to nuclear collisions
International Nuclear Information System (INIS)
Suraud, E.; Belkacem, M.; Stryjewski, J.; Ayik, S.
1991-01-01
An approximate method for obtaining numerical solutions of the Boltzmann-Langevin equation is proposed. The method is applied to calculate the time evolution of the mean value and dispersion of the quadrupole and octupole moments of the momentum distribution in nucleus-nucleus collisions, and some consequences are discussed
A fast iterative scheme for the linearized Boltzmann equation
Wu, Lei; Zhang, Jun; Liu, Haihu; Zhang, Yonghao; Reese, Jason M.
2017-06-01
Iterative schemes to find steady-state solutions to the Boltzmann equation are efficient for highly rarefied gas flows, but can be very slow to converge in the near-continuum flow regime. In this paper, a synthetic iterative scheme is developed to speed up the solution of the linearized Boltzmann equation by penalizing the collision operator L into the form L = (L + Nδh) - Nδh, where δ is the gas rarefaction parameter, h is the velocity distribution function, and N is a tuning parameter controlling the convergence rate. The velocity distribution function is first solved by the conventional iterative scheme, then it is corrected such that the macroscopic flow velocity is governed by a diffusion-type equation that is asymptotic-preserving into the Navier-Stokes limit. The efficiency of this new scheme is assessed by calculating the eigenvalue of the iteration, as well as solving for Poiseuille and thermal transpiration flows. We find that the fastest convergence of our synthetic scheme for the linearized Boltzmann equation is achieved when Nδ is close to the average collision frequency. The synthetic iterative scheme is significantly faster than the conventional iterative scheme in both the transition and the near-continuum gas flow regimes. Moreover, due to its asymptotic-preserving properties, the synthetic iterative scheme does not need high spatial resolution in the near-continuum flow regime, which makes it even faster than the conventional iterative scheme. Using this synthetic scheme, with the fast spectral approximation of the linearized Boltzmann collision operator, Poiseuille and thermal transpiration flows between two parallel plates, through channels of circular/rectangular cross sections and various porous media are calculated over the whole range of gas rarefaction. Finally, the flow of a Ne-Ar gas mixture is solved based on the linearized Boltzmann equation with the Lennard-Jones intermolecular potential for the first time, and the difference
Weighted particle method for solving the Boltzmann equation
International Nuclear Information System (INIS)
Tohyama, M.; Suraud, E.
1990-01-01
We propose a new, deterministic, method of solution of the nuclear Boltzmann equation. In this Weighted Particle Method two-body collisions are treated by a Master equation for an occupation probability of each numerical particle. We apply the method to the quadrupole motion of 12 C. A comparison with usual stochastic methods is made. Advantages and disadvantages of the Weighted Particle Method are discussed
Comment on ''Boltzmann equation and the conservation of particle number''
International Nuclear Information System (INIS)
Zanette, D.
1990-09-01
In a recent paper (Z. Banggu, Phys. Rev. A 42, 761 (1990)) it is argued that some solutions of the Boltzmann equation do not satisfy particle conservation as a consequence of the independence of velocity on position. In this comment, the arguments and conclusions of that paper are discussed. In particular, it is stressed that the temporal series used for solving the kinetic equation are generally divergent. A discussion about the particle conservation in its solutions is also provided. (author). 4 refs
International Nuclear Information System (INIS)
Green, B I; Vedula, Prakash
2013-01-01
An alternative approach for solution of the collisional Boltzmann equation for a lattice architecture is presented. In the proposed method, termed the collisional lattice Boltzmann method (cLBM), the effects of spatial transport are accounted for via a streaming operator, using a lattice framework, and the effects of detailed collisional interactions are accounted for using the full collision operator of the Boltzmann equation. The latter feature is in contrast to the conventional lattice Boltzmann methods (LBMs) where collisional interactions are modeled via simple equilibrium based relaxation models (e.g. BGK). The underlying distribution function is represented using weights and fixed velocity abscissas according to the lattice structure. These weights are evolved based on constraints on the evolution of generalized moments of velocity according to the collisional Boltzmann equation. It can be shown that the collision integral can be reduced to a summation of elementary integrals, which can be analytically evaluated. The proposed method is validated using studies of canonical microchannel Couette and Poiseuille flows (both body force and pressure driven) and the results are found to be in good agreement with those obtained from conventional LBMs and experiments where available. Unlike conventional LBMs, the proposed method does not involve any equilibrium based approximations and hence can be useful for simulation of highly nonequilibrium flows (for a range of Knudsen numbers) using a lattice framework. (paper)
New Poisson–Boltzmann type equations: one-dimensional solutions
International Nuclear Information System (INIS)
Lee, Chiun-Chang; Lee, Hijin; Hyon, YunKyong; Lin, Tai-Chia; Liu, Chun
2011-01-01
The Poisson–Boltzmann (PB) equation is conventionally used to model the equilibrium of bulk ionic species in different media and solvents. In this paper we study a new Poisson–Boltzmann type (PB n ) equation with a small dielectric parameter ε 2 and non-local nonlinearity which takes into consideration the preservation of the total amount of each individual ion. This equation can be derived from the original Poisson–Nernst–Planck system. Under Robin-type boundary conditions with various coefficient scales, we demonstrate the asymptotic behaviours of one-dimensional solutions of PB n equations as the parameter ε approaches zero. In particular, we show that in case of electroneutrality, i.e. α = β, solutions of 1D PB n equations have a similar asymptotic behaviour as those of 1D PB equations. However, as α ≠ β (non-electroneutrality), solutions of 1D PB n equations may have blow-up behaviour which cannot be found in 1D PB equations. Such a difference between 1D PB and PB n equations can also be verified by numerical simulations
From Boltzmann equations to steady wall velocities
International Nuclear Information System (INIS)
Konstandin, Thomas; Rues, Ingo; Nardini, Germano; California Univ., Santa Barbara, CA
2014-07-01
By means of a relativistic microscopic approach we calculate the expansion velocity of bubbles generated during a first-order electroweak phase transition. In particular, we use the gradient expansion of the Kadanoff-Baym equations to set up the fluid system. This turns out to be equivalent to the one found in the semi-classical approach in the non-relativistic limit. Finally, by including hydrodynamic deflagration effects and solving the Higgs equations of motion in the fluid, we determine velocity and thickness of the bubble walls. Our findings are compared with phenomenological models of wall velocities. As illustrative examples, we apply these results to three theories providing first-order phase transitions with a particle content in the thermal plasma that resembles the Standard Model.
Boltzmann equation and hydrodynamics beyond Navier-Stokes.
Bobylev, A V
2018-04-28
We consider in this paper the problem of derivation and regularization of higher (in Knudsen number) equations of hydrodynamics. The author's approach based on successive changes of hydrodynamic variables is presented in more detail for the Burnett level. The complete theory is briefly discussed for the linearized Boltzmann equation. It is shown that the best results in this case can be obtained by using the 'diagonal' equations of hydrodynamics. Rigorous estimates of accuracy of the Navier-Stokes and Burnett approximations are also presented.This article is part of the theme issue 'Hilbert's sixth problem'. © 2018 The Author(s).
Temperature waves and the Boltzmann kinetic equation for phonons
International Nuclear Information System (INIS)
Urushev, D.; Borisov, M.; Vavrek, A.
1988-01-01
The ordinary parabolic equation for thermal conduction based on the Fourier empiric law as well as the generalized thermal conduction equation based on the Maxwell law have been derived from the Boltzmann equation for the phonons within the relaxation time approximation. The temperature waves of the so-called second sound in crystals at low temperatures are transformed into Fourier waves at low frequencies with respect to the characteristic frequency of the U-processes. These waves are transformed into temperature waves similar to the second sound waves in He II at frequences higher than the U-processes characteristic. 1 fig., 19 refs
Energy Technology Data Exchange (ETDEWEB)
Tripathy, Sushanta; Khuntia, Arvind; Tiwari, Swatantra Kumar; Sahoo, Raghunath [Indian Institute of Technology Indore, Discipline of Physics, School of Basic Sciences, Indore (India)
2017-05-15
In the continuation of our previous work, the transverse-momentum (p{sub T}) spectra and nuclear modification factor (R{sub AA}) are derived using the relaxation time approximation of Boltzmann Transport Equation (BTE). The initial p{sub T}-distribution used to describe p + p collisions has been studied with the perturbative-Quantum Chromodynamics (pQCD) inspired power-law distribution, Hagedorn's empirical formula and with the Tsallis non-extensive statistical distribution. The non-extensive Tsallis distribution is observed to describe the complete range of the transverse-momentum spectra. The Boltzmann-Gibbs Blast Wave (BGBW) distribution is used as the equilibrium distribution in the present formalism, to describe the p{sub T}-distribution and nuclear modification factor in nucleus-nucleus collisions. The experimental data for Pb+Pb collisions at √(s{sub NN}) = 2.76 TeV at the Large Hadron Collider at CERN have been analyzed for pions, kaons, protons, K{sup *0} and φ. It is observed that the present formalism while explaining the transverse-momentum spectra up to 5 GeV/c, explains the nuclear modification factor very well up to 8 GeV/c in p{sub T} for all these particles except for protons. R{sub AA} is found to be independent of the degree of non-extensivity, q{sub pp} after p{sub T} ∝ 8 GeV/c. (orig.)
Hydrodynamic Limit with Geometric Correction of Stationary Boltzmann Equation
Wu, Lei
2014-01-01
We consider the hydrodynamic limit of a stationary Boltzmann equation in a unit plate with in-flow boundary. We prove the solution can be approximated in $L^{\\infty}$ by the sum of interior solution which satisfies steady incompressible Navier-Stokes-Fourier system, and boundary layer with geometric correction. Also, we construct a counterexample to the classical theory which states the behavior of solution near boundary can be described by the Knudsen layer derived from the Milne problem.
Hypersonic Shock Wave Computations Using the Generalized Boltzmann Equation
Agarwal, Ramesh; Chen, Rui; Cheremisin, Felix G.
2006-11-01
Hypersonic shock structure in diatomic gases is computed by solving the Generalized Boltzmann Equation (GBE), where the internal and translational degrees of freedom are considered in the framework of quantum and classical mechanics respectively [1]. The computational framework available for the standard Boltzmann equation [2] is extended by including both the rotational and vibrational degrees of freedom in the GBE. There are two main difficulties encountered in computation of high Mach number flows of diatomic gases with internal degrees of freedom: (1) a large velocity domain is needed for accurate numerical description of the distribution function resulting in enormous computational effort in calculation of the collision integral, and (2) about 50 energy levels are needed for accurate representation of the rotational spectrum of the gas. Our methodology addresses these problems, and as a result the efficiency of calculations has increased by several orders of magnitude. The code has been validated by computing the shock structure in Nitrogen for Mach numbers up to 25 including the translational and rotational degrees of freedom. [1] Beylich, A., ``An Interlaced System for Nitrogen Gas,'' Proc. of CECAM Workshop, ENS de Lyon, France, 2000. [2] Cheremisin, F., ``Solution of the Boltzmann Kinetic Equation for High Speed Flows of a Rarefied Gas,'' Proc. of the 24th Int. Symp. on Rarefied Gas Dynamics, Bari, Italy, 2004.
Non-linear effects in the Boltzmann equation
International Nuclear Information System (INIS)
Barrachina, R.O.
1985-01-01
The Boltzmann equation is studied by defining an integral transformation of the energy distribution function for an isotropic and homogeneous gas. This transformation may be interpreted as a linear superposition of equilibrium states with variable temperatures. It is shown that the temporal evolution features of the distribution function are determined by the singularities of said transformation. This method is applied to Maxwell and Very Hard Particle interaction models. For the latter, the solution of the Boltzmann equation with the solution of its linearized version is compared, finding out many basic discrepancies and non-linear effects. This gives a hint to propose a new rational approximation method with a clear physical meaning. Applying this technique, the relaxation features of the BKW (Bobylev, Krook anf Wu) mode is analyzed, finding a conclusive counter-example for the Krook and Wu conjecture. The anisotropic Boltzmann equation for Maxwell models is solved as an expansion in terms of the eigenfunctions of the corresponding linearized collision operator, finding interesting transient overpopulation and underpopulation effects at thermal energies as well as a new preferential spreading effect. By analyzing the initial collision, a criterion is established to deduce the general features of the final approach to equilibrium. Finally, it is shown how to improve the convergence of the eigenfunction expansion for high energy underpopulated distribution functions. As an application of this theory, the linear cascade model for sputtering is analyzed, thus finding out that many differences experimentally observed are due to non-linear effects. (M.E.L.) [es
International Nuclear Information System (INIS)
Foroutan, A.
1992-05-01
The essential mathematical challenge in transport theory is based on the nonlinearity of the integro-differential equations governing classical thermodynamic systems on molecular kinetic level. It is the aim of this thesis to gain exact analytical solutions to the model Boltzmann equation suggested by Tjon and Wu. Such solutions afford a deeper insight into the dynamics of rarefied gases. Tjon and Wu have provided a stochastic model of a Boltzmann equation. Its transition probability depends only on the relative speed of the colliding particles. This assumption leads in the case of two translational degrees of freedom to an integro-differential equation of convolution type. According to this convolution structure the integro-differential equation is Laplace transformed. The result is a nonlinear partial differential equation. The investigation of the symmetries of this differential equation by means of Lie groups of transformation enables us to transform the originally nonlinear partial differential equation into ordinary differential equation into ordinary differential equations of Bernoulli type. (author)
Description of the approach to equilibrium in the Boltzmann equation
Energy Technology Data Exchange (ETDEWEB)
Barrachina, R.O.; Fujii, D.H.; Garibotti, C.R.
1985-06-01
An integral transform of the Boltzmann equation with a clear physical interpretation is introduced. It is applied to different interaction models and initial conditions, relevant information about the way the equilibrium is reached. This method leads quite naturally to the introduction of an N-pole approximant of the distribution function which seems to be a rather useful technique not only in view of its simplicity but also because of its capability to keep track of the temporal evolution features of the chosen interaction model. 6 references.
A modified Poisson-Boltzmann equation applied to protein adsorption.
Gama, Marlon de Souza; Santos, Mirella Simões; Lima, Eduardo Rocha de Almeida; Tavares, Frederico Wanderley; Barreto, Amaro Gomes Barreto
2018-01-05
Ion-exchange chromatography has been widely used as a standard process in purification and analysis of protein, based on the electrostatic interaction between the protein and the stationary phase. Through the years, several approaches are used to improve the thermodynamic description of colloidal particle-surface interaction systems, however there are still a lot of gaps specifically when describing the behavior of protein adsorption. Here, we present an improved methodology for predicting the adsorption equilibrium constant by solving the modified Poisson-Boltzmann (PB) equation in bispherical coordinates. By including dispersion interactions between ions and protein, and between ions and surface, the modified PB equation used can describe the Hofmeister effects. We solve the modified Poisson-Boltzmann equation to calculate the protein-surface potential of mean force, treated as spherical colloid-plate system, as a function of process variables. From the potential of mean force, the Henry constants of adsorption, for different proteins and surfaces, are calculated as a function of pH, salt concentration, salt type, and temperature. The obtained Henry constants are compared with experimental data for several isotherms showing excellent agreement. We have also performed a sensitivity analysis to verify the behavior of different kind of salts and the Hofmeister effects. Copyright © 2017 Elsevier B.V. All rights reserved.
A lattice Boltzmann model for the Burgers-Fisher equation.
Zhang, Jianying; Yan, Guangwu
2010-06-01
A lattice Boltzmann model is developed for the one- and two-dimensional Burgers-Fisher equation based on the method of the higher-order moment of equilibrium distribution functions and a series of partial differential equations in different time scales. In order to obtain the two-dimensional Burgers-Fisher equation, vector sigma(j) has been used. And in order to overcome the drawbacks of "error rebound," a new assumption of additional distribution is presented, where two additional terms, in first order and second order separately, are used. Comparisons with the results obtained by other methods reveal that the numerical solutions obtained by the proposed method converge to exact solutions. The model under new assumption gives better results than that with second order assumption. (c) 2010 American Institute of Physics.
A new lattice Boltzmann equation to simulate density-driven convection of carbon dioxide
Allen, Rebecca
2013-01-01
The storage of CO2 in fluid-filled geological formations has been carried out for more than a decade in locations around the world. After CO2 has been injected into the aquifer and has moved laterally under the aquifer\\'s cap-rock, density-driven convection becomes an important transport process to model. However, the challenge lies in simulating this transport process accurately with high spatial resolution and low CPU cost. This issue can be addressed by using the lattice Boltzmann equation (LBE) to formulate a model for a similar scenario when a solute diffuses into a fluid and density differences lead to convective mixing. The LBE is a promising alternative to the traditional methods of computational fluid dynamics. Rather than discretizing the system of partial differential equations of classical continuum mechanics directly, the LBE is derived from a velocity-space truncation of the Boltzmann equation of classical kinetic theory. We propose an extension to the LBE, which can accurately predict the transport of dissolved CO2 in water, as a step towards fluid-filled porous media simulations. This is achieved by coupling two LBEs, one for the fluid flow and one for the convection and diffusion of CO2. Unlike existing lattice Boltzmann equations for porous media flow, our model is derived from a system of moment equations and a Crank-Nicolson discretization of the velocity-truncated Boltzmann equation. The forcing terms are updated locally without the need for additional central difference approximation. Therefore our model preserves all the computational advantages of the single-phase lattice Boltzmann equation and is formally second-order accurate in both space and time. Our new model also features a novel implementation of boundary conditions, which is simple to implement and does not suffer from the grid-dependent error that is present in the standard "bounce-back" condition. The significance of using the LBE in this work lies in the ability to efficiently
International Nuclear Information System (INIS)
Garcia, A.L.; Alexander, F.J.; Alder, B.J.
1997-01-01
The consistent Boltzmann algorithm (CBA) for dense, hard-sphere gases is generalized to obtain the van der Waals equation of state and the corresponding exact viscosity at all densities except at the highest temperatures. A general scheme for adjusting any transport coefficients to higher values is presented
International Nuclear Information System (INIS)
Zabadal, Jorge; Borges, Volnei; Van der Laan, Flavio T.; Santos, Marcio G.
2015-01-01
This work presents a new analytical method for solving the Boltzmann equation. In this formulation, a linear differential operator is applied over the Boltzmann model, in order to produce a partial differential equation in which the scattering term is absent. This auxiliary equation is solved via reduction of order. The exact solution obtained is employed to define a precursor for the buildup factor. (author)
Energy Technology Data Exchange (ETDEWEB)
Zabadal, Jorge; Borges, Volnei; Van der Laan, Flavio T., E-mail: jorge.zabadal@ufrgs.br, E-mail: borges@ufrgs.br, E-mail: ftvdl@ufrgs.br [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS (Brazil). Departamento de Engenharia Mecanica. Grupo de Pesquisas Radiologicas; Ribeiro, Vinicius G., E-mail: vinicius_ribeiro@uniritter.edu.br [Centro Universitario Ritter dos Reis (UNIRITTER), Porto Alegre, RS (Brazil); Santos, Marcio G., E-mail: phd.marcio@gmail.com [Universidade Federal do Rio Grande do Sul (UFRGS), Tramandai, RS (Brazil). Departamento Interdisciplinar do Campus Litoral Norte
2015-07-01
This work presents a new analytical method for solving the Boltzmann equation. In this formulation, a linear differential operator is applied over the Boltzmann model, in order to produce a partial differential equation in which the scattering term is absent. This auxiliary equation is solved via reduction of order. The exact solution obtained is employed to define a precursor for the buildup factor. (author)
Nonaligned shocks for discrete velocity models of the Boltzmann equation
Directory of Open Access Journals (Sweden)
J. M. Greenberg
1991-05-01
Full Text Available At the conclusion of I. Bonzani's presentation on the existence of structured shock solutions to the six-velocity, planar, discrete Boltzmann equation (with binary and triple collisions, Greenberg asked whether such solutions were possible in directions e(α=(cosα ,sinα when α was not one of the particle flow directions. This question generated a spirited discussion but the question was still open at the conclusion of the conference. In this note the author will provide a partial resolution to the question raised above. Using formal perturbation arguments he will produce approximate solutions to the equation considered by Bonzani which represent traveling waves propagating in any direction e(α=(cosα ,sinα.
A lattice Boltzmann model for solute transport in open channel flow
Wang, Hongda; Cater, John; Liu, Haifei; Ding, Xiangyi; Huang, Wei
2018-01-01
A lattice Boltzmann model of advection-dispersion problems in one-dimensional (1D) open channel flows is developed for simulation of solute transport and pollutant concentration. The hydrodynamics are calculated based on a previous lattice Boltzmann approach to solving the 1D Saint-Venant equations (LABSVE). The advection-dispersion model is coupled with the LABSVE using the lattice Boltzmann method. Our research recovers the advection-dispersion equations through the Chapman-Enskog expansion of the lattice Boltzmann equation. The model differs from the existing schemes in two points: (1) the lattice Boltzmann numerical method is adopted to solve the advection-dispersion problem by meso-scopic particle distribution; (2) and the model describes the relation between discharge, cross section area and solute concentration, which increases the applicability of the water quality model in practical engineering. The model is verified using three benchmark tests: (1) instantaneous solute transport within a short distance; (2) 1D point source pollution with constant velocity; (3) 1D point source pollution in a dam break flow. The model is then applied to a 50-year flood point source pollution accident on the Yongding River, which showed good agreement with a MIKE 11 solution and gauging data.
Corner-transport-upwind lattice Boltzmann model for bubble cavitation
Sofonea, V.; Biciuşcǎ, T.; Busuioc, S.; Ambruş, Victor E.; Gonnella, G.; Lamura, A.
2018-02-01
Aiming to study the bubble cavitation problem in quiescent and sheared liquids, a third-order isothermal lattice Boltzmann model that describes a two-dimensional (2D) fluid obeying the van der Waals equation of state, is introduced. The evolution equations for the distribution functions in this off-lattice model with 16 velocities are solved using the corner-transport-upwind (CTU) numerical scheme on large square lattices (up to 6144 ×6144 nodes). The numerical viscosity and the regularization of the model are discussed for first- and second-order CTU schemes finding that the latter choice allows to obtain a very accurate phase diagram of a nonideal fluid. In a quiescent liquid, the present model allows us to recover the solution of the 2D Rayleigh-Plesset equation for a growing vapor bubble. In a sheared liquid, we investigated the evolution of the total bubble area, the bubble deformation, and the bubble tilt angle, for various values of the shear rate. A linear relation between the dimensionless deformation coefficient D and the capillary number Ca is found at small Ca but with a different factor than in equilibrium liquids. A nonlinear regime is observed for Ca≳0.2 .
Information Geometry Formalism for the Spatially Homogeneous Boltzmann Equation
Directory of Open Access Journals (Sweden)
Bertrand Lods
2015-06-01
Full Text Available Information Geometry generalizes to infinite dimension by modeling the tangent space of the relevant manifold of probability densities with exponential Orlicz spaces. We review here several properties of the exponential manifold on a suitable set Ɛ of mutually absolutely continuous densities. We study in particular the fine properties of the Kullback-Liebler divergence in this context. We also show that this setting is well-suited for the study of the spatially homogeneous Boltzmann equation if Ɛ is a set of positive densities with finite relative entropy with respect to the Maxwell density. More precisely, we analyze the Boltzmann operator in the geometric setting from the point of its Maxwell’s weak form as a composition of elementary operations in the exponential manifold, namely tensor product, conditioning, marginalization and we prove in a geometric way the basic facts, i.e., the H-theorem. We also illustrate the robustness of our method by discussing, besides the Kullback-Leibler divergence, also the property of Hyvärinen divergence. This requires us to generalize our approach to Orlicz–Sobolev spaces to include derivatives.
International Nuclear Information System (INIS)
Dumonteil, E.; Diop, C. M.
2009-01-01
This paper derives an unbiased minimum variance estimator (UMVE) of a matrix exponential function of a normal wean. The result is then used to propose a reference scheme to solve Boltzmann/Bateman coupled equations, thanks to Monte Carlo transport codes. The last section will present numerical results on a simple example. (authors)
Matrix-valued Boltzmann equation for the nonintegrable Hubbard chain.
Fürst, Martin L R; Mendl, Christian B; Spohn, Herbert
2013-07-01
The standard Fermi-Hubbard chain becomes nonintegrable by adding to the nearest neighbor hopping additional longer range hopping amplitudes. We assume that the quartic interaction is weak and investigate numerically the dynamics of the chain on the level of the Boltzmann type kinetic equation. Only the spatially homogeneous case is considered. We observe that the huge degeneracy of stationary states in the case of nearest neighbor hopping is lost and the convergence to the thermal Fermi-Dirac distribution is restored. The convergence to equilibrium is exponentially fast. However for small next-nearest neighbor hopping amplitudes one has a rapid relaxation towards the manifold of quasistationary states and slow relaxation to the final equilibrium state.
A discontinuous Galerkin finite-element method for a 1D prototype of the Boltzmann equation
Hoitinga, W.; Brummelen, van E.H.
2011-01-01
To develop and analyze new computational techniques for the Boltzmann equation based on model or approximation adaptivity, it is imperative to have disposal of a compliant model problem that displays the essential characteristics of the Boltzmann equation and that admits the extraction of highly
Diffusion equation and spin drag in spin-polarized transport
DEFF Research Database (Denmark)
Flensberg, Karsten; Jensen, Thomas Stibius; Mortensen, Asger
2001-01-01
We study the role of electron-electron interactions for spin-polarized transport using the Boltzmann equation, and derive a set of coupled transport equations. For spin-polarized transport the electron-electron interactions are important, because they tend to equilibrate the momentum of the two-s...
A Boltzmann equation approach to the damping of giant resonances in nuclei
International Nuclear Information System (INIS)
Schuck, P.; Winter, J.
1983-01-01
The Vlasov equation plus collision term (Boltzmann equation) represents an appropriate frame for the treatment of giant resonances (zero sound modes) in nuclei. With no adjustable parameters we obtain correct positions and widths for the giant quadrupole resonances. (author)
Neutron transport equation - indications on homogenization and neutron diffusion
International Nuclear Information System (INIS)
Argaud, J.P.
1992-06-01
In PWR nuclear reactor, the practical study of the neutrons in the core uses diffusion equation to describe the problem. On the other hand, the most correct method to describe these neutrons is to use the Boltzmann equation, or neutron transport equation. In this paper, we give some theoretical indications to obtain a diffusion equation from the general transport equation, with some simplifying hypothesis. The work is organised as follows: (a) the most general formulations of the transport equation are presented: integro-differential equation and integral equation; (b) the theoretical approximation of this Boltzmann equation by a diffusion equation is introduced, by the way of asymptotic developments; (c) practical homogenization methods of transport equation is then presented. In particular, the relationships with some general and useful methods in neutronic are shown, and some homogenization methods in energy and space are indicated. A lot of other points of view or complements are detailed in the text or the remarks
Isospin dependent Boltzmann-langevin equation and the production cross section of 19Na
International Nuclear Information System (INIS)
Ming Zhaoyu; Zhang Fengshou; Chen Liewen; Zhu Zhiyuan; Zhang Wenlong; Guo Zhongyan; Xiao Guoqing
2000-01-01
A new transport model (isospin dependent Boltzmann-Langevin equation) is developed and it is shown that this model can regenerate the experimental data for reaction of 12 C + 12 C at 28.7 MeV/u. The production cross section of 19 Na is systematically studied for reactions of 17-20,22 Ne + 12 C at 28.7 MeV/u. It is found that a neutron deficient projectile has larger 19 Na cross section than a stable projectile
An efficient numerical method for solving the Boltzmann equation in multidimensions
Dimarco, Giacomo; Loubère, Raphaël; Narski, Jacek; Rey, Thomas
2018-01-01
In this paper we deal with the extension of the Fast Kinetic Scheme (FKS) (Dimarco and Loubère, 2013 [26]) originally constructed for solving the BGK equation, to the more challenging case of the Boltzmann equation. The scheme combines a robust and fast method for treating the transport part based on an innovative Lagrangian technique supplemented with conservative fast spectral schemes to treat the collisional operator by means of an operator splitting approach. This approach along with several implementation features related to the parallelization of the algorithm permits to construct an efficient simulation tool which is numerically tested against exact and reference solutions on classical problems arising in rarefied gas dynamic. We present results up to the 3 D × 3 D case for unsteady flows for the Variable Hard Sphere model which may serve as benchmark for future comparisons between different numerical methods for solving the multidimensional Boltzmann equation. For this reason, we also provide for each problem studied details on the computational cost and memory consumption as well as comparisons with the BGK model or the limit model of compressible Euler equations.
International Nuclear Information System (INIS)
Lin, X.
1991-01-01
This paper reports the development of an object-oriented programming methodology for particle simulations. It is established on the [m reductionist] view that many physical phenomena cana be reduced to many-body problems. By doing the reduction, many seemly unrelated physical phenomena can be simulated in a systematic way and a high-level programming system can be constructed to facilitate the programming and the solution of the simulations. In the object-oriented particle simulation methodology, a hierarchy of abstract particles is defined to represent a variety of characteristics in physical system simulations. A simulation program is constructed from particles derived from the abstract particles. The object- oriented particle simulation methodology provides a unifying modeling and simulation framework for a variety of simulation applications with the use of particle methods. It allows easy composition of simulation programs from predefined software modules and facilitates software reusability. It greatly increase the productivity of simulation program constructions. Boltzmann (after Ludwig Boltzmann, 1844-1906) is a prototype programming system in the object-oriented particle simulation methodology. Boltzmann is implemented in C++ and the X Window System. It contains a library of data types and functions that support simulations in particle methods. Moreover, it provides a visualization window to support friendly user-computer interaction. Examples of the application of the Boltzmann programming system are presented. The effectiveness of the object-oriented particle simulation methodology is demonstrated. A user's manual is included in the appendix
Spherical harmonics and energy polynomial solution of the Boltzmann equation for neutrons, 1
International Nuclear Information System (INIS)
Toledo, P.S. de
1974-01-01
The approximate solution of the source-free energy-dependent Boltzmann transport equation for neutrons in plane geometry and isotropic scattering case was given by Leonard and Ferziger using a truncated development in a series of energy-polynomials for the energy dependent neutron flux and solving exactly for the angular dependence. The presence in the general solution of eigenfunctions belonging to a continuous spectrum gives rise to difficult analytical problems in the application of their method even to simple problems. To avoid such difficulties, the angular dependence is treated by a spherical harmonics method and a general solution of the energy-dependent transport equation in plane geometry and isotropic scattering is obtained, in spite of the appearance of matrices as argument of the angular polynomials [pt
On kinetic Boltzmann equations and related hydrodynamic flows with dry viscosity
Directory of Open Access Journals (Sweden)
Nikolai N. Bogoliubov (Jr.
2007-01-01
Full Text Available A two-component particle model of Boltzmann-Vlasov type kinetic equations in the form of special nonlinear integro-differential hydrodynamic systems on an infinite-dimensional functional manifold is discussed. We show that such systems are naturally connected with the nonlinear kinetic Boltzmann-Vlasov equations for some one-dimensional particle flows with pointwise interaction potential between particles. A new type of hydrodynamic two-component Benney equations is constructed and their Hamiltonian structure is analyzed.
International Nuclear Information System (INIS)
Kawashima, S.; Matsumara, A.; Nishida, T.
1979-01-01
The compressible and heat-conductive Navier-Stokes equation obtained as the second approximation of the formal Chapman-Enskog expansion is investigated on its relations to the original nonlinear Boltzmann equation and also to the incompressible Navier-Stokes equation. The solutions of the Boltzmann equation and the incompressible Navier-Stokes equation for small initial data are proved to be asymptotically equivalent (mod decay rate tsup(-5/4)) as t → + infinitely to that of the compressible Navier-Stokes equation for the corresponding initial data. (orig.) 891 HJ/orig. 892 MKO
Application of Littlewood-Paley decomposition to the regularity of Boltzmann type kinetic equations
International Nuclear Information System (INIS)
EL Safadi, M.
2007-03-01
We study the regularity of kinetic equations of Boltzmann type.We use essentially Littlewood-Paley method from harmonic analysis, consisting mainly in working with dyadics annulus. We shall mainly concern with the homogeneous case, where the solution f(t,x,v) depends only on the time t and on the velocities v, while working with realistic and singular cross-sections (non cutoff). In the first part, we study the particular case of Maxwellian molecules. Under this hypothesis, the structure of the Boltzmann operator and his Fourier transform write in a simple form. We show a global C ∞ regularity. Then, we deal with the case of general cross-sections with 'hard potential'. We are interested in the Landau equation which is limit equation to the Boltzmann equation, taking in account grazing collisions. We prove that any weak solution belongs to Schwartz space S. We demonstrate also a similar regularity for the case of Boltzmann equation. Let us note that our method applies directly for all dimensions, and proofs are often simpler compared to other previous ones. Finally, we finish with Boltzmann-Dirac equation. In particular, we adapt the result of regularity obtained in Alexandre, Desvillettes, Wennberg and Villani work, using the dissipation rate connected with Boltzmann-Dirac equation. (author)
Computational Aeroacoustics Using the Generalized Lattice Boltzmann Equation, Phase I
National Aeronautics and Space Administration — The overall objective of the proposed project is to develop a generalized lattice Boltzmann (GLB) approach as a potential computational aeroacoustics (CAA) tool for...
Self-consistent relativistic Boltzmann-Uehling-Uhlenbeck equation for the Δ distribution function
International Nuclear Information System (INIS)
Mao, G.; Li, Z.; Zhuo, Y.
1996-01-01
We derive the self-consistent relativistic Boltzmann-Uehling-Uhlenbeck (RBUU) equation for the delta distribution function within the framework which we have done for nucleon close-quote s. In our approach, the Δ isobars are treated in essentially the same way as nucleons. Both mean field and collision terms of Δ close-quote s RBUU equation are derived from the same effective Lagrangian and presented analytically. We calculate the in-medium NΔ elastic and inelastic scattering cross sections up to twice nuclear matter density and the results show that the in-medium cross sections deviate substantially from Cugnon close-quote s parametrization that is commonly used in the transport model. copyright 1996 The American Physical Society
International Nuclear Information System (INIS)
Gamba, Irene M.; Haack, Jeffrey R.
2014-01-01
We present the formulation of a conservative spectral method for the Boltzmann collision operator with anisotropic scattering cross-sections. The method is an extension of the conservative spectral method of Gamba and Tharkabhushanam [17,18], which uses the weak form of the collision operator to represent the collisional term as a weighted convolution in Fourier space. The method is tested by computing the collision operator with a suitably cut-off angular cross section and comparing the results with the solution of the Landau equation. We analytically study the convergence rate of the Fourier transformed Boltzmann collision operator in the grazing collisions limit to the Fourier transformed Landau collision operator under the assumption of some regularity and decay conditions of the solution to the Boltzmann equation. Our results show that the angular singularity which corresponds to the Rutherford scattering cross section is the critical singularity for which a grazing collision limit exists for the Boltzmann operator. Additionally, we numerically study the differences between homogeneous solutions of the Boltzmann equation with the Rutherford scattering cross section and an artificial cross section, which give convergence to solutions of the Landau equation at different asymptotic rates. We numerically show the rate of the approximation as well as the consequences for the rate of entropy decay for homogeneous solutions of the Boltzmann equation and Landau equation
Boltzmann equation for a mixture of gases with non-conservative processes
International Nuclear Information System (INIS)
Martiarena, M.L.
1989-01-01
The nonlinear and non-isotropic Boltzmann equation (NLBE) including several molecular species, non-conservative channels and external forces. The general solution of that equation is obtained for a spatially homogeneous mixture of L gases, consisting of Maxwell particles, as a Generalized Laguerre expansion, within a Hilbert space. Removal and self-generation effects are included in presence of a time-dependent external force. An exact particular solution is studied generalizing the well-known BKW-mode for a mixture of L gases with inelastic processes. An homogeneous gas of test particles, in d dimension, is considered which interacts with a background host medium in the presence of an external space and time dependent force. Scattering, removal and self-generation collisions are included. The inhomogeneous Boltzmann equation for this system to an homogeneous one is reduced without background or external forces, using a generalized Nilkoskii transform. It is shown that a background of field particles can confine the test gas, even in absence of external forces. Furthermore, the solution of NLBE with non-isotropic singular initial conditions, is analyzed. The NLBE is transformed into an integral equation which is solved iteratively. The evolution of delta and step singularities in the distribution function is discussed during the initial layer and compared with the isotropic case. As an application of the methods abovementioned, the collision of a beam of ions or neutral atoms with a carbon-foil is considered. The electron experimental spectra from a transport equation is described. It is supposed that convoy electron may be produced inside the solid by single ion-atom collisions as ELC or ECC. The produced electrons lost energy by collision with the atoms of the material, which are considered at rest. The electron distribution function is numerically calculated. The ratio between the intrinsic convoy electron peak height to the background electron intensity
The lattice Boltzmann model for the second-order Benjamin–Ono equations
International Nuclear Information System (INIS)
Lai, Huilin; Ma, Changfeng
2010-01-01
In this paper, in order to extend the lattice Boltzmann method to deal with more complicated nonlinear equations, we propose a 1D lattice Boltzmann scheme with an amending function for the second-order (1 + 1)-dimensional Benjamin–Ono equation. With the Taylor expansion and the Chapman–Enskog expansion, the governing evolution equation is recovered correctly from the continuous Boltzmann equation. The equilibrium distribution function and the amending function are obtained. Numerical simulations are carried out for the 'good' Boussinesq equation and the 'bad' one to validate the proposed model. It is found that the numerical results agree well with the analytical solutions. The present model can be used to solve more kinds of nonlinear partial differential equations
A unified gas-kinetic scheme for continuum and rarefied flows IV: Full Boltzmann and model equations
Energy Technology Data Exchange (ETDEWEB)
Liu, Chang, E-mail: cliuaa@ust.hk [Department of Mathematics and Department of Mechanical and Aerospace Engineering, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); Xu, Kun, E-mail: makxu@ust.hk [Department of Mathematics and Department of Mechanical and Aerospace Engineering, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); Sun, Quanhua, E-mail: qsun@imech.ac.cn [State Key Laboratory of High-temperature Gas Dynamics, Institute of Mechanics, Chinese Academy of Sciences, No. 15 Beisihuan Xi Rd, Beijing 100190 (China); Cai, Qingdong, E-mail: caiqd@mech.pku.edu.cn [Department of Mechanics and Aerospace Engineering, College of Engineering, Peking University, Beijing 100871 (China)
2016-06-01
Fluid dynamic equations are valid in their respective modeling scales, such as the particle mean free path scale of the Boltzmann equation and the hydrodynamic scale of the Navier–Stokes (NS) equations. With a variation of the modeling scales, theoretically there should have a continuous spectrum of fluid dynamic equations. Even though the Boltzmann equation is claimed to be valid in all scales, many Boltzmann solvers, including direct simulation Monte Carlo method, require the cell resolution to the order of particle mean free path scale. Therefore, they are still single scale methods. In order to study multiscale flow evolution efficiently, the dynamics in the computational fluid has to be changed with the scales. A direct modeling of flow physics with a changeable scale may become an appropriate approach. The unified gas-kinetic scheme (UGKS) is a direct modeling method in the mesh size scale, and its underlying flow physics depends on the resolution of the cell size relative to the particle mean free path. The cell size of UGKS is not limited by the particle mean free path. With the variation of the ratio between the numerical cell size and local particle mean free path, the UGKS recovers the flow dynamics from the particle transport and collision in the kinetic scale to the wave propagation in the hydrodynamic scale. The previous UGKS is mostly constructed from the evolution solution of kinetic model equations. Even though the UGKS is very accurate and effective in the low transition and continuum flow regimes with the time step being much larger than the particle mean free time, it still has space to develop more accurate flow solver in the region, where the time step is comparable with the local particle mean free time. In such a scale, there is dynamic difference from the full Boltzmann collision term and the model equations. This work is about the further development of the UGKS with the implementation of the full Boltzmann collision term in the region
Distributional Monte Carlo Methods for the Boltzmann Equation
2013-03-01
postulated by Ludwig Boltzmann [23] at a time when the atomic makeup of matter was not an accepted concept. Modern physics realizes Boltzmann’s vision...über Gastheorie 1898. Translated by S.G. Brush ., 1964. [24] Boyles, K.A., G.J. LeBeau, and M.A. Gallis. “DSMC Simulations in Support of the Columbia
Electronic transport in VO2—Experimentally calibrated Boltzmann transport modeling
International Nuclear Information System (INIS)
Kinaci, Alper; Rosenmann, Daniel; Chan, Maria K. Y.; Kado, Motohisa; Ling, Chen; Zhu, Gaohua; Banerjee, Debasish
2015-01-01
Materials that undergo metal-insulator transitions (MITs) are under intense study, because the transition is scientifically fascinating and technologically promising for various applications. Among these materials, VO 2 has served as a prototype due to its favorable transition temperature. While the physical underpinnings of the transition have been heavily investigated experimentally and computationally, quantitative modeling of electronic transport in the two phases has yet to be undertaken. In this work, we establish a density-functional-theory (DFT)-based approach with Hubbard U correction (DFT + U) to model electronic transport properties in VO 2 in the semiconducting and metallic regimes, focusing on band transport using the Boltzmann transport equations. We synthesized high quality VO 2 films and measured the transport quantities across the transition, in order to calibrate the free parameters in the model. We find that the experimental calibration of the Hubbard correction term can efficiently and adequately model the metallic and semiconducting phases, allowing for further computational design of MIT materials for desirable transport properties
Electronic transport in VO{sub 2}—Experimentally calibrated Boltzmann transport modeling
Energy Technology Data Exchange (ETDEWEB)
Kinaci, Alper; Rosenmann, Daniel; Chan, Maria K. Y., E-mail: debasish.banerjee@toyota.com, E-mail: mchan@anl.gov [Center for Nanoscale Materials, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Kado, Motohisa [Higashifuji Technical Center, Toyota Motor Corporation, Susono, Shizuoka 410-1193 (Japan); Ling, Chen; Zhu, Gaohua; Banerjee, Debasish, E-mail: debasish.banerjee@toyota.com, E-mail: mchan@anl.gov [Materials Research Department, Toyota Motor Engineering and Manufacturing North America, Inc., Ann Arbor, Michigan 48105 (United States)
2015-12-28
Materials that undergo metal-insulator transitions (MITs) are under intense study, because the transition is scientifically fascinating and technologically promising for various applications. Among these materials, VO{sub 2} has served as a prototype due to its favorable transition temperature. While the physical underpinnings of the transition have been heavily investigated experimentally and computationally, quantitative modeling of electronic transport in the two phases has yet to be undertaken. In this work, we establish a density-functional-theory (DFT)-based approach with Hubbard U correction (DFT + U) to model electronic transport properties in VO{sub 2} in the semiconducting and metallic regimes, focusing on band transport using the Boltzmann transport equations. We synthesized high quality VO{sub 2} films and measured the transport quantities across the transition, in order to calibrate the free parameters in the model. We find that the experimental calibration of the Hubbard correction term can efficiently and adequately model the metallic and semiconducting phases, allowing for further computational design of MIT materials for desirable transport properties.
Normal and adjoint integral and integrodifferential neutron transport equations. Pt. 2
International Nuclear Information System (INIS)
Velarde, G.
1976-01-01
Using the simplifying hypotheses of the integrodifferential Boltzmann equations of neutron transport, given in JEN 334 report, several integral equations, and theirs adjoint ones, are obtained. Relations between the different normal and adjoint eigenfunctions are established and, in particular, proceeding from the integrodifferential Boltzmann equation it's found out the relation between the solutions of the adjoint equation of its integral one, and the solutions of the integral equation of its adjoint one (author)
International Nuclear Information System (INIS)
Schofield, S.L.
1988-01-01
Ackroyd's generalized least-squares method for solving the first-order Boltzmann equation is adapted to incorporate a potential treatment of voids. The adaptation comprises a direct least-squares minimization allied with a suitably-defined bilinear functional. The resulting formulation gives rise to a maximum principle whose functional does not contain terms of the type that have previously led to difficulties in treating void regions. The maximum principle is derived without requiring continuity of the flux at interfaces. The functional of the maximum principle is concluded to have an Euler-Lagrange equation given directly by the first-order Boltzmann equation. (author)
Structural interactions in ionic liquids linked to higher-order Poisson-Boltzmann equations
Blossey, R.; Maggs, A. C.; Podgornik, R.
2017-06-01
We present a derivation of generalized Poisson-Boltzmann equations starting from classical theories of binary fluid mixtures, employing an approach based on the Legendre transform as recently applied to the case of local descriptions of the fluid free energy. Under specific symmetry assumptions, and in the linearized regime, the Poisson-Boltzmann equation reduces to a phenomenological equation introduced by Bazant et al. [Phys. Rev. Lett. 106, 046102 (2011)], 10.1103/PhysRevLett.106.046102, whereby the structuring near the surface is determined by bulk coefficients.
International Nuclear Information System (INIS)
Lin-Jie, Chen; Chang-Feng, Ma
2010-01-01
This paper proposes a lattice Boltzmann model with an amending function for one-dimensional nonlinear partial differential equations (NPDEs) in the form u t + αuu x + βu n u x + γu xx + δu xxx + ζu xxxx = 0. This model is different from existing models because it lets the time step be equivalent to the square of the space step and derives higher accuracy and nonlinear terms in NPDEs. With the Chapman–Enskog expansion, the governing evolution equation is recovered correctly from the continuous Boltzmann equation. The numerical results agree well with the analytical solutions. (general)
Swarm analysis by using transport equations
International Nuclear Information System (INIS)
Dote, Toshihiko.
1985-01-01
As the basis of weak ionization plasma phenomena, the motion, i.e. swarm, of charged particles in the gas is analyzed by use of the transport equations, from which basic nature of the swarm is discussed. The present report is an overview of the studies made in the past several years. Described are principally the most basic aspects concerning behaviors of the electrons and positive ions, that is, the basic equations and their significance, characteristics of the behaviors of the electron and positive ion swarms as revealed by solving the equations, and various characteristics of the swarm parameters. Contents are: Maxwell-Boltzmann's transport equations, behavior of the electron swarm, energy loss of the electrons, and behavior of the positive ion swarm. (Mori, K.)
Lattice Boltzmann method for solving the bioheat equation
International Nuclear Information System (INIS)
Zhang Haifeng
2008-01-01
In this work, we develop the lattice Boltzmann method (LBM) as a potential solver for the bioheat problems. The accuracy of the present LBM algorithm is validated through comparison with the analytical solution and the finite element simulation. The results show that the LBM can give a precise prediction of the temperature distribution, and it is efficient to deal with the space- and time-dependent heat source, which are often encountered in the treatment planning of tumor hyperthermia. (note)
International Nuclear Information System (INIS)
Grigoriev, Yurii N; Meleshko, Sergey V; Suriyawichitseranee, Amornrat
2015-01-01
Group analysis of the spatially homogeneous and molecular energy dependent Boltzmann equations with source term is carried out. The Fourier transform of the Boltzmann equation with respect to the molecular velocity variable is considered. The correspondent determining equation of the admitted Lie group is reduced to a partial differential equation for the admitted source. The latter equation is analyzed by an algebraic method. A complete group classification of the Fourier transform of the Boltzmann equation with respect to a source function is given. The representation of invariant solutions and corresponding reduced equations for all obtained source functions are also presented. (paper)
Novel diagrammatic method for computing transport coefficients - beyond the Boltzmann approximation
International Nuclear Information System (INIS)
Hidaka, Y.; Kunihiro, T.
2010-01-01
We propose a novel diagrammatic method for computing transport coefficients in relativistic quantum field theory. Our method is based on a reformulation and extension of the diagrammatic method by Eliashberg given in the imaginary-time formalism to the relativistic quantum field theory in the real-time formalism, in which the cumbersome analytical continuation problem can be avoided. The transport coefficients are obtained from a two-point function via Kubo formula. It is know that naive perturbation theory breaks down owing to a so called pinch singularity, and hence a resummation is required for getting a finite and sensible result. As a novel resummation method, we first decompose the two point function into the singular part and the regular part, and then reconstruct the diagrams. We find that a self-consistent equation for the two-point function has the same structure as the linearized Boltzmann equation. It is known that the two-point function at the leading order is equivalent to the linearized Boltzmann equation. We find the higher order corrections are nicely summarized as a renormalization of the vertex function, spectral function, and collision term. We also discuss the critical behavior of the transport coefficients near a phase transition, applying our method. (author)
Charged-particle calculations using Boltzmann transport methods
International Nuclear Information System (INIS)
Hoffman, T.J.; Dodds, H.L. Jr.; Robinson, M.T.; Holmes, D.K.
1981-01-01
Several aspects of radiation damage effects in fusion reactor neutron and ion irradiation environments are amenable to treatment by transport theory methods. In this paper, multigroup transport techniques are developed for the calculation of charged particle range distributions, reflection coefficients, and sputtering yields. The Boltzmann transport approach can be implemented, with minor changes, in standard neutral particle computer codes. With the multigroup discrete ordinates code, ANISN, determination of ion and target atom distributions as functions of position, energy, and direction can be obtained without the stochastic error associated with atomistic computer codes such as MARLOWE and TRIM. With the multigroup Monte Carlo code, MORSE, charged particle effects can be obtained for problems associated with very complex geometries. Results are presented for several charged particle problems. Good agreement is obtained between quantities calculated with the multigroup approach and those obtained experimentally or by atomistic computer codes
Entropy inequality and hydrodynamic limits for the Boltzmann equation.
Saint-Raymond, Laure
2013-12-28
Boltzmann brought a fundamental contribution to the understanding of the notion of entropy, by giving a microscopic formulation of the second principle of thermodynamics. His ingenious idea, motivated by the works of his contemporaries on the atomic nature of matter, consists of describing gases as huge systems of identical and indistinguishable elementary particles. The state of a gas can therefore be described in a statistical way. The evolution, which introduces couplings, loses part of the information, which is expressed by the decay of the so-called mathematical entropy (the opposite of physical entropy!).
Direct simulation Monte Carlo method for the Uehling-Uhlenbeck-Boltzmann equation.
Garcia, Alejandro L; Wagner, Wolfgang
2003-11-01
In this paper we describe a direct simulation Monte Carlo algorithm for the Uehling-Uhlenbeck-Boltzmann equation in terms of Markov processes. This provides a unifying framework for both the classical Boltzmann case as well as the Fermi-Dirac and Bose-Einstein cases. We establish the foundation of the algorithm by demonstrating its link to the kinetic equation. By numerical experiments we study its sensitivity to the number of simulation particles and to the discretization of the velocity space, when approximating the steady-state distribution.
Swarm analysis by using transport equations, 1
International Nuclear Information System (INIS)
Dote, Toshihiko; Shimada, Masatoshi
1980-01-01
By evolving Maxwell-Boltzmann transport equations, various quantities on swarm of charged particles have been analyzed. Although this treatment is properly general, and common transport equations for charged particles ought to be given, in particular, equations only for electrons were presented here. The relation between the random energy and the drift energy was first derived and the general expression of the electron velocity was deduced too. For a simple example, one dimensional steady-state electron swarm in a uniform medium was treated. Electron swarm characteristics numerically calculated in He, Ne or Ar exhibited some interesting properties, which were physically clearly elucidated. These results were also compared with several data already published. Agreements between them were qualitatively rather well in detailed structures. (author)
International Nuclear Information System (INIS)
Rodriguez, Barbara A.; Borges, Volnei; Vilhena, Marco Tullio
2005-01-01
In this work we would like to obtain a formulation of an analytic method for the solution of the three dimensional transport equation considering Compton scattering and an expression for total doses due to gamma radiation, where the deposited energy by the free electron will be considered. For that, we will work with two equations: the first one for the photon transport, considering the Klein-Nishina kernel and energy multigroup model, and the second one considering the free electron with the screened Rutherford scattering. (author)
Diffusive limits for linear transport equations
International Nuclear Information System (INIS)
Pomraning, G.C.
1992-01-01
The authors show that the Hibert and Chapman-Enskog asymptotic treatments that reduce the nonlinear Boltzmann equation to the Euler and Navier-Stokes fluid equations have analogs in linear transport theory. In this linear setting, these fluid limits are described by diffusion equations, involving familiar and less familiar diffusion coefficients. Because of the linearity extant, one can carry out explicitly the initial and boundary layer analyses required to obtain asymptotically consistent initial and boundary conditions for the diffusion equations. In particular, the effects of boundary curvature and boundary condition variation along the surface can be included in the boundary layer analysis. A brief review of heuristic (nonasymptotic) diffusion description derivations is also included in our discussion
Transport equation solving methods
International Nuclear Information System (INIS)
Granjean, P.M.
1984-06-01
This work is mainly devoted to Csub(N) and Fsub(N) methods. CN method: starting from a lemma stated by Placzek, an equivalence is established between two problems: the first one is defined in a finite medium bounded by a surface S, the second one is defined in the whole space. In the first problem the angular flux on the surface S is shown to be the solution of an integral equation. This equation is solved by Galerkin's method. The Csub(N) method is applied here to one-velocity problems: in plane geometry, slab albedo and transmission with Rayleigh scattering, calculation of the extrapolation length; in cylindrical geometry, albedo and extrapolation length calculation with linear scattering. Fsub(N) method: the basic integral transport equation of the Csub(N) method is integrated on Case's elementary distributions; another integral transport equation is obtained: this equation is solved by a collocation method. The plane problems solved by the Csub(N) method are also solved by the Fsub(N) method. The Fsub(N) method is extended to any polynomial scattering law. Some simple spherical problems are also studied. Chandrasekhar's method, collision probability method, Case's method are presented for comparison with Csub(N) and Fsub(N) methods. This comparison shows the respective advantages of the two methods: a) fast convergence and possible extension to various geometries for Csub(N) method; b) easy calculations and easy extension to polynomial scattering for Fsub(N) method [fr
Generalized Boltzmann equations for on-shell particle production in a hot plasma
International Nuclear Information System (INIS)
Jakovac, A.
2002-01-01
A novel refinement of the conventional treatment of Kadanoff-Baym equations is suggested. In addition to the Boltzmann equation, another differential equation is used for calculating the evolution of the nonequilibrium two-point function. Although it was usually interpreted as a constraint on the solution of the Boltzmann equation, we argue that its dynamics is relevant to the determination and resummation of the particle production cut contributions. The differential equation for this new contribution is illustrated in the example of the cubic scalar model. The analogue of the relaxation time approximation is suggested. It results in the shift of the threshold location and in a smearing out of the nonanalytic threshold behavior of the spectral function. The possible consequences for the dilepton production are discussed
Solutions of Boltzmann`s Equation for Mono-energetic Neutrons in an Infinite Homogeneous Medium
Wigner, E. P.
1943-11-30
Boltzman's equation is solved for the case of monoenergetic neutrons created by a plane or point source in an infinite medium which has spherically symmetric scattering. The customary solution of the diffusion equation appears to be multiplied by a constant factor which is smaller than 1. In addition to this term the total neutron density contains another term which is important in the neighborhood of the source. It varies as 1/r{sup 2} in the neighborhood of a point source. (auth)
DEFF Research Database (Denmark)
Johannessen, Kim
2014-01-01
The exact solution to the one-dimensional Poisson–Boltzmann equation with asymmetric boundary conditions can be expressed in terms of the Jacobi elliptic functions. The boundary conditions determine the modulus of the Jacobi elliptic functions. The boundary conditions can not be solved analytically...
Monte Carlo method implementation on IPSC 860 for the resolution of the Boltzmann equation
International Nuclear Information System (INIS)
AloUGES, Francois
1993-01-01
This note deals with the implementation on a massively parallel machine (IPSC-860) of a Monte-Carlo method aiming at resolving the Boltzmann equation. The parallelism of the machine incites to consider a multi-domain approach and poses the problem of the automatic generation of local meshes from a non-structured 3-D global mesh [fr
An Eulerian description of the streaming process in the lattice Boltzmann equation
Lee Tae Hun
2003-01-01
This paper presents a novel strategy for solving discrete Boltzmann equation (DBE) for simulation of fluid flows. This strategy splits the solution procedure into streaming and collision steps as in the lattice Boltzmann equation (LBE) method. The streaming step can then be carried out by solving pure linear advection equations in an Eulerian framework. This offers two significant advantages over previous methods. First, the relationship between the relaxation parameter and the discretization of the collision term developed from the LBE method is directly applicable to the DBE method. The resulting DBE collision step remains local and poses no constraint on time step. Second, decoupling of the advection step from the collision step facilitates implicit discretization of the advection equation on arbitrary meshes. An implicit unstructured DBE method is constructed based on this strategy and is evaluated using several test cases of flow over a backward-facing step, lid-driven cavity flow, and flow past a circul...
Energy Technology Data Exchange (ETDEWEB)
Benoist, P; Kavenoky, A [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires
1968-01-15
In a new method of approximation of the Boltzmann equation, one starts from a particular form of the equation which involves only the angular flux at the boundary of the considered medium and where the space variable does not appear explicitly. Expanding in orthogonal polynomials the angular flux of neutrons leaking from the medium and making no assumption about the angular flux within the medium, very good approximations to several classical plane geometry problems, i.e. the albedo of slabs and the transmission by slabs, the extrapolation length of the Milne problem, the spectrum of neutrons reflected by a semi-infinite slowing down medium. The method can be extended to other geometries. (authors) [French] On etablit une nouvelle methode d'approximation pour l'equation de Boltzmann en partant d'une forme particuliere de cette equation qui n'implique que le flux angulaire a la frontiere du milieu et ou les variables d'espace n'apparaissent pas explicitement. Par un developpement en polynomes orthogonaux du flux angulaire sortant du milieu et sans faire d'hypothese sur le flux angulaire a l'interieur du milieu, on obtient de tres bonnes approximations pour plusieurs problemes classiques en geometrie plane: l'albedo et le facteur de transmission des plaques, la longueur d'extrapolation du probleme de Milne, le spectre des neutrons reflechis par un milieu semi-infini ralentisseur. La methode se generalise a d'autres geometries. (auteurs)
Stable lattice Boltzmann model for Maxwell equations in media
Hauser, A.; Verhey, J. L.
2017-12-01
The present work shows a method for stable simulations via the lattice Boltzmann (LB) model for electromagnetic waves (EM) transiting homogeneous media. LB models for such media were already presented in the literature, but they suffer from numerical instability when the media transitions are sharp. We use one of these models in the limit of pure vacuum derived from Liu and Yan [Appl. Math. Model. 38, 1710 (2014), 10.1016/j.apm.2013.09.009] and apply an extension that treats the effects of polarization and magnetization separately. We show simulations of simple examples in which EM waves travel into media to quantify error scaling, stability, accuracy, and time scaling. For conductive media, we use the Strang splitting and check the simulations accuracy at the example of the skin effect. Like pure EM propagation, the error for the static limits, which are constructed with a current density added in a first-order scheme, can be less than 1 % . The presented method is an easily implemented alternative for the stabilization of simulation for EM waves propagating in spatially complex structured media properties and arbitrary transitions.
Application of Boltzmann equation to electron transmission and seconary electron emission
International Nuclear Information System (INIS)
Lanteri, H.; Bindi, R.; Rostaing, P.
1979-01-01
A method is presented for numerical treatment of integro-differential equation, based upon finite difference techniques. This method allows to formulate in a satisfactory manner the Boltzmann's equation applied to backscattering, transmission and secondary emission of metallic targets, avoiding must of the restrictive hypothesis, used until now in these models. For aluminium, the calculated energy spectra, angular distribution, transmission and backscattering coefficients, and secondary emission yield, are found to be in good agreement with experiment [fr
International Nuclear Information System (INIS)
Gong, W.G.; Bauer, W.; Gelbke, C.K.; Carlin, N.; de Souza, R.T.; Kim, Y.D.; Lynch, W.G.; Murakami, T.; Poggi, G.; Sanderson, D.P.; Tsang, M.B.; Xu, H.M.; Pratt, S.; Fields, D.E.; Kwiatkowski, K.; Planeta, R.; Viola, V.E. Jr.; Yennello, S.J.
1990-01-01
Two-proton correlation functions measured for the 14 N+ 27 Al reaction at E/A=75 MeV are compared to correlation functions predicted for collision geometries obtained from numerical solutions of the Boltzmann-Uehling-Uhlenbeck (BUU) equation. The calculations are in rather good agreement with the experimental correlation function, indicating that the BUU equation gives a reasonable description of the space-time evolution of the reaction
General particle transport equation. Final report
International Nuclear Information System (INIS)
Lafi, A.Y.; Reyes, J.N. Jr.
1994-12-01
The general objectives of this research are as follows: (1) To develop fundamental models for fluid particle coalescence and breakage rates for incorporation into statistically based (Population Balance Approach or Monte Carlo Approach) two-phase thermal hydraulics codes. (2) To develop fundamental models for flow structure transitions based on stability theory and fluid particle interaction rates. This report details the derivation of the mass, momentum and energy conservation equations for a distribution of spherical, chemically non-reacting fluid particles of variable size and velocity. To study the effects of fluid particle interactions on interfacial transfer and flow structure requires detailed particulate flow conservation equations. The equations are derived using a particle continuity equation analogous to Boltzmann's transport equation. When coupled with the appropriate closure equations, the conservation equations can be used to model nonequilibrium, two-phase, dispersed, fluid flow behavior. Unlike the Eulerian volume and time averaged conservation equations, the statistically averaged conservation equations contain additional terms that take into account the change due to fluid particle interfacial acceleration and fluid particle dynamics. Two types of particle dynamics are considered; coalescence and breakage. Therefore, the rate of change due to particle dynamics will consider the gain and loss involved in these processes and implement phenomenological models for fluid particle breakage and coalescence
Sels, Dries; Brosens, Fons
2013-10-01
The equation of motion for the reduced Wigner function of a system coupled to an external quantum system is presented for the specific case when the external quantum system can be modeled as a set of harmonic oscillators. The result is derived from the Wigner function formulation of the Feynman-Vernon influence functional theory. It is shown how the true self-energy for the equation of motion is connected with the influence functional for the path integral. Explicit expressions are derived in terms of the bare Wigner propagator. Finally, we show under which approximations the resulting equation of motion reduces to the Wigner-Boltzmann equation.
Energy Technology Data Exchange (ETDEWEB)
Plas, R.
1962-07-01
The author reports a study on kinetics equations for a reactor. He uses the conventional form of these equations but by using a dynamic multiplication factor. Thus, constants related to delayed neutrons are not modified by efficiency factors. The author first describes the theoretic kinetic operation of a reactor and develops the associated equations. He reports the development of equations for multiplication factors.
International Nuclear Information System (INIS)
Winkler, R.; Wilhelm, J.
A detailed description is presented of calculating the nonstationary electron distribution function in a weakly ionized collision-dominated plasma from the Boltzmann kinetic equation respecting the effects of the time-dependent electric field, collision processes and the electron formation and loss. The finite difference approximation was used for numerical solution. Using the Crank-Nicolson method and parabolic interpolation between the grid points the Boltzmann equation was transformed to a system of linear equations which was then solved by iterations at a preset accuracy. Using the calculated distribution function values, the macroscopic plasma parameters were determined and the balance of electron density and energy checked in each time step. The mathematical procedure is illustrated using a neon plasma perturbed by a rectangular electric pulse. The time development shown of the distribution function at moments when the pulse was switched on and off demonstrates the great stability of the numerical solution. (J.U.)
Li, Q; He, Y L; Wang, Y; Tao, W Q
2007-11-01
A coupled double-distribution-function lattice Boltzmann method is developed for the compressible Navier-Stokes equations. Different from existing thermal lattice Boltzmann methods, this method can recover the compressible Navier-Stokes equations with a flexible specific-heat ratio and Prandtl number. In the method, a density distribution function based on a multispeed lattice is used to recover the compressible continuity and momentum equations, while the compressible energy equation is recovered by an energy distribution function. The energy distribution function is then coupled to the density distribution function via the thermal equation of state. In order to obtain an adjustable specific-heat ratio, a constant related to the specific-heat ratio is introduced into the equilibrium energy distribution function. Two different coupled double-distribution-function lattice Boltzmann models are also proposed in the paper. Numerical simulations are performed for the Riemann problem, the double-Mach-reflection problem, and the Couette flow with a range of specific-heat ratios and Prandtl numbers. The numerical results are found to be in excellent agreement with analytical and/or other solutions.
Numerical approximation of the Boltzmann equation : moment closure
Abdel Malik, M.R.A.; Brummelen, van E.H.
2012-01-01
This work applies the moment method onto a generic form of kinetic equations to simplify kinetic models of particle systems. This leads to the moment closure problem which is addressed using entropy-based moment closure techniques utilizing entropy minimization. The resulting moment closure system
Boltzmann equation analysis of electron-molecule collision cross sections in water vapor and ammonia
International Nuclear Information System (INIS)
Yousfi, M.; Benabdessadok, M.D.
1996-01-01
Sets of electron-molecule collision cross sections for H 2 O and NH 3 have been determined from a classical technique of electron swarm parameter unfolding. This deconvolution method is based on a simplex algorithm using a powerful multiterm Boltzmann equation analysis established in the framework of the classical hydrodynamic approximation. It is well adapted for the simulation of the different classes of swarm experiments (i.e., time resolved, time of flight, and steady state experiments). The sets of collision cross sections that exist in the literature are reviewed and analyzed. Fitted sets of cross sections are determined for H 2 O and NH 3 which exhibit features characteristic of polar molecules such as high rotational excitation collision cross sections. The hydrodynamic swarm parameters (i.e., drift velocity, longitudinal and transverse diffusion coefficients, ionization and attachment coefficients) calculated from the fitted sets are in excellent agreement with the measured ones. These sets are finally used to calculate the transport and reaction coefficients needed for discharge modeling in two cases of typical gas mixtures for which experimental swarm data are very sparse or nonexistent (i.e., flue gas mixtures and gas mixtures for rf plasma surface treatment). copyright 1996 American Institute of Physics
Numerical Treatment of the Boltzmann Equation for Self-Propelled Particle Systems
Directory of Open Access Journals (Sweden)
Florian Thüroff
2014-11-01
Full Text Available Kinetic theories constitute one of the most promising tools to decipher the characteristic spatiotemporal dynamics in systems of actively propelled particles. In this context, the Boltzmann equation plays a pivotal role, since it provides a natural translation between a particle-level description of the system’s dynamics and the corresponding hydrodynamic fields. Yet, the intricate mathematical structure of the Boltzmann equation substantially limits the progress toward a full understanding of this equation by solely analytical means. Here, we propose a general framework to numerically solve the Boltzmann equation for self-propelled particle systems in two spatial dimensions and with arbitrary boundary conditions. We discuss potential applications of this numerical framework to active matter systems and use the algorithm to give a detailed analysis to a model system of self-propelled particles with polar interactions. In accordance with previous studies, we find that spatially homogeneous isotropic and broken-symmetry states populate two distinct regions in parameter space, which are separated by a narrow region of spatially inhomogeneous, density-segregated moving patterns. We find clear evidence that these three regions in parameter space are connected by first-order phase transitions and that the transition between the spatially homogeneous isotropic and polar ordered phases bears striking similarities to liquid-gas phase transitions in equilibrium systems. Within the density-segregated parameter regime, we find a novel stable limit-cycle solution of the Boltzmann equation, which consists of parallel lanes of polar clusters moving in opposite directions, so as to render the overall symmetry of the system’s ordered state nematic, despite purely polar interactions on the level of single particles.
Galerkin methods for Boltzmann-Poisson transport with reflection conditions on rough boundaries
Morales Escalante, José A.; Gamba, Irene M.
2018-06-01
We consider in this paper the mathematical and numerical modeling of reflective boundary conditions (BC) associated to Boltzmann-Poisson systems, including diffusive reflection in addition to specularity, in the context of electron transport in semiconductor device modeling at nano scales, and their implementation in Discontinuous Galerkin (DG) schemes. We study these BC on the physical boundaries of the device and develop a numerical approximation to model an insulating boundary condition, or equivalently, a pointwise zero flux mathematical condition for the electron transport equation. Such condition balances the incident and reflective momentum flux at the microscopic level, pointwise at the boundary, in the case of a more general mixed reflection with momentum dependant specularity probability p (k →). We compare the computational prediction of physical observables given by the numerical implementation of these different reflection conditions in our DG scheme for BP models, and observe that the diffusive condition influences the kinetic moments over the whole domain in position space.
Energy Technology Data Exchange (ETDEWEB)
EL Safadi, M
2007-03-15
We study the regularity of kinetic equations of Boltzmann type.We use essentially Littlewood-Paley method from harmonic analysis, consisting mainly in working with dyadics annulus. We shall mainly concern with the homogeneous case, where the solution f(t,x,v) depends only on the time t and on the velocities v, while working with realistic and singular cross-sections (non cutoff). In the first part, we study the particular case of Maxwellian molecules. Under this hypothesis, the structure of the Boltzmann operator and his Fourier transform write in a simple form. We show a global C{sup {infinity}} regularity. Then, we deal with the case of general cross-sections with 'hard potential'. We are interested in the Landau equation which is limit equation to the Boltzmann equation, taking in account grazing collisions. We prove that any weak solution belongs to Schwartz space S. We demonstrate also a similar regularity for the case of Boltzmann equation. Let us note that our method applies directly for all dimensions, and proofs are often simpler compared to other previous ones. Finally, we finish with Boltzmann-Dirac equation. In particular, we adapt the result of regularity obtained in Alexandre, Desvillettes, Wennberg and Villani work, using the dissipation rate connected with Boltzmann-Dirac equation. (author)
Global Well-Posedness of the Boltzmann Equation with Large Amplitude Initial Data
Duan, Renjun; Huang, Feimin; Wang, Yong; Yang, Tong
2017-07-01
The global well-posedness of the Boltzmann equation with initial data of large amplitude has remained a long-standing open problem. In this paper, by developing a new {L^∞_xL^1v\\cap L^∞_{x,v}} approach, we prove the global existence and uniqueness of mild solutions to the Boltzmann equation in the whole space or torus for a class of initial data with bounded velocity-weighted {L^∞} norm under some smallness condition on the {L^1_xL^∞_v} norm as well as defect mass, energy and entropy so that the initial data allow large amplitude oscillations. Both the hard and soft potentials with angular cut-off are considered, and the large time behavior of solutions in the {L^∞_{x,v}} norm with explicit rates of convergence are also studied.
Electron kinetics with attachment and ionization from higher order solutions of Boltzmann's equation
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Winkler, R.; Wilhelm, J.; Braglia, G.L.
1989-01-01
An appropriate approach is presented for solving the Boltzmann equation for electron swarms and nonstationary weakly ionized plasmas in the hydrodynamic stage, including ionization and attachment processes. Using a Legendre-polynomial expansion of the electron velocity distribution function the resulting eigenvalue problem has been solved at any even truncation-order. The technique has been used to study velocity distribution, mean collision frequencies, energy transfer rates, nonstationary behaviour and power balance in hydrodynamic stage, of electrons in a model plasma and a plasma of pure SF 6 . The calculations have been performed for increasing approximation-orders, up to the converged solution of the problem. In particular, the transition from dominant attachment to prevailing ionization when increasing the field strength has been studied. Finally the establishment of the hydrodynamic stage for a selected case in the model plasma has been investigated by solving the nonstationary, spatially homogeneous Boltzmann equation in twoterm approximation. (author)
Fellner, Klemens; Kovtunenko, Victor A
2016-01-01
A nonlinear Poisson-Boltzmann equation with inhomogeneous Robin type boundary conditions at the interface between two materials is investigated. The model describes the electrostatic potential generated by a vector of ion concentrations in a periodic multiphase medium with dilute solid particles. The key issue stems from interfacial jumps, which necessitate discontinuous solutions to the problem. Based on variational techniques, we derive the homogenisation of the discontinuous problem and establish a rigorous residual error estimate up to the first-order correction.
Recent applications of the Boltzmann master equation to heavy ion precompound decay phenomena
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Blann, M.; Remington, B.A.
1988-06-01
The Boltzmann master equation (BME) is described and used as a tool to interpret preequilibrium neutron emission from heavy ion collisions gated on evaporation residue or fission fragments. The same approach is used to interpret neutron spectra gated on deep inelastic and quasi-elastic heavy ion collisions. Less successful applications of BME to proton inclusive data with 40 MeV/u incident 12 C ions are presented, and improvements required in the exciton injection term are discussed
An Implicit Scheme of Lattice Boltzmann Method for Sine-Gordon Equation
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Hui-Lin, Lai; Chang-Feng, Ma
2008-01-01
We establish an implicit scheme of lattice Boltzmann method for simulating the sine-Gordon equation, which can be transformed into the explicit one, so the computation of the scheme is simple. Moreover, the parameter θ of the implicit scheme is independent of the relaxation time, which makes the model more flexible. The numerical results show that this method is very effective. (fundamental areas of phenomenology (including applications))
Li, Zhi-Hui; Peng, Ao-Ping; Zhang, Han-Xin; Yang, Jaw-Yen
2015-04-01
This article reviews rarefied gas flow computations based on nonlinear model Boltzmann equations using deterministic high-order gas-kinetic unified algorithms (GKUA) in phase space. The nonlinear Boltzmann model equations considered include the BGK model, the Shakhov model, the Ellipsoidal Statistical model and the Morse model. Several high-order gas-kinetic unified algorithms, which combine the discrete velocity ordinate method in velocity space and the compact high-order finite-difference schemes in physical space, are developed. The parallel strategies implemented with the accompanying algorithms are of equal importance. Accurate computations of rarefied gas flow problems using various kinetic models over wide ranges of Mach numbers 1.2-20 and Knudsen numbers 0.0001-5 are reported. The effects of different high resolution schemes on the flow resolution under the same discrete velocity ordinate method are studied. A conservative discrete velocity ordinate method to ensure the kinetic compatibility condition is also implemented. The present algorithms are tested for the one-dimensional unsteady shock-tube problems with various Knudsen numbers, the steady normal shock wave structures for different Mach numbers, the two-dimensional flows past a circular cylinder and a NACA 0012 airfoil to verify the present methodology and to simulate gas transport phenomena covering various flow regimes. Illustrations of large scale parallel computations of three-dimensional hypersonic rarefied flows over the reusable sphere-cone satellite and the re-entry spacecraft using almost the largest computer systems available in China are also reported. The present computed results are compared with the theoretical prediction from gas dynamics, related DSMC results, slip N-S solutions and experimental data, and good agreement can be found. The numerical experience indicates that although the direct model Boltzmann equation solver in phase space can be computationally expensive
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He, Y B; Tang, X H
2016-01-01
In this paper, in order to extend the lattice Boltzmann method (LBM) to deal with more nonlinear systems, a one-dimensional and five-velocity lattice Boltzmann scheme with an amending function for a family of the coupled viscous Burgers’ equation (CVBE) is proposed. With the Taylor and Chapman–Enskog expansion, a family of the CVBE is recovered correctly from the lattice Boltzmann equation through selecting the equilibrium distribution functions and amending functions properly. The method is applied to some test examples with an analytical solution. The results are compared with those obtained by the finite difference method (FDM); it is shown that the numerical solutions agree well with the analytical solutions and the errors obtained by the present method are smaller than the FDM. Furthermore, some problems without analytical solutions are numerically studied by the present method and the FDM. The results show that the numerical solutions of the LBM are in good agreement with those obtained by the FDM, which can validate the effectiveness and stability of the LBM. (paper: classical statistical mechanics, equilibrium and non-equilibrium)
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Stoltz, G; Lazzeri, M; Mauri, F
2009-01-01
We present a study of the phononic thermal conductivity of isotopically disordered carbon nanotubes. In particular, the behaviour of the thermal conductivity as a function of the system length is investigated, using Green's function techniques to compute the transmission across the system. The method is implemented using linear scaling algorithms, which allow us to reach systems of lengths up to L = 2.5 μm (with up to 200 000 atoms). As for 1D systems, it is observed that the conductivity diverges with the system size L. We also observe a dramatic decrease of the thermal conductance for systems of experimental sizes (roughly 80% at room temperature for L = 2.5 μm), when a large fraction of isotopic disorder is introduced. The results obtained with Green's function techniques are compared to results obtained with a Boltzmann description of thermal transport. There is a good agreement between both approaches for systems of experimental sizes, even in the presence of Anderson localization. This is particularly interesting since the computation of the transmission using Boltzmann's equation is much less computationally expensive, so that larger systems may be studied with this method.
From Newton's Law to the Linear Boltzmann Equation Without Cut-Off
Ayi, Nathalie
2017-03-01
We provide a rigorous derivation of the linear Boltzmann equation without cut-off starting from a system of particles interacting via a potential with infinite range as the number of particles N goes to infinity under the Boltzmann-Grad scaling. More particularly, we will describe the motion of a tagged particle in a gas close to global equilibrium. The main difficulty in our context is that, due to the infinite range of the potential, a non-integrable singularity appears in the angular collision kernel, making no longer valid the single-use of Lanford's strategy. Our proof relies then on a combination of Lanford's strategy, of tools developed recently by Bodineau, Gallagher and Saint-Raymond to study the collision process, and of new duality arguments to study the additional terms associated with the long-range interaction, leading to some explicit weak estimates.
Simulation of 2D rarefied gas flows based on the numerical solution of the Boltzmann equation
Poleshkin, Sergey O.; Malkov, Ewgenij A.; Kudryavtsev, Alexey N.; Shershnev, Anton A.; Bondar, Yevgeniy A.; Kohanchik, A. A.
2017-10-01
There are various methods for calculating rarefied gas flows, in particular, statistical methods and deterministic methods based on the finite-difference solutions of the Boltzmann nonlinear kinetic equation and on the solutions of model kinetic equations. There is no universal method; each has its disadvantages in terms of efficiency or accuracy. The choice of the method depends on the problem to be solved and on parameters of calculated flows. Qualitative theoretical arguments help to determine the range of parameters of effectively solved problems for each method; however, it is advisable to perform comparative tests of calculations of the classical problems performed by different methods and with different parameters to have quantitative confirmation of this reasoning. The paper provides the results of the calculations performed by the authors with the help of the Direct Simulation Monte Carlo method and finite-difference methods of solving the Boltzmann equation and model kinetic equations. Based on this comparison, conclusions are made on selecting a particular method for flow simulations in various ranges of flow parameters.
Patel, R.A.; Perko, J.; Jaques, D.; De Schutter, G.; Ye, G.; Van Breugel, K.
2013-01-01
A Lattice Boltzmann (LB) based reactive transport model intended to capture reactions and solid phase changes occurring at the pore scale is presented. The proposed approach uses LB method to compute multi component mass transport. The LB multi-component transport model is then coupled with the
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Ayissi, Raoul Domingo; Noutchegueme, Norbert
2015-01-01
Global solutions regular for the Einstein-Boltzmann equation on a magnetized Bianchi type-I cosmological model with the cosmological constant are investigated. We suppose that the metric is locally rotationally symmetric. The Einstein-Boltzmann equation has been already considered by some authors. But, in general Bancel and Choquet-Bruhat [Ann. Henri Poincaré XVIII(3), 263 (1973); Commun. Math. Phys. 33, 83 (1973)], they proved only the local existence, and in the case of the nonrelativistic Boltzmann equation. Mucha [Global existence of solutions of the Einstein-Boltzmann equation in the spatially homogeneous case. Evolution equation, existence, regularity and singularities (Banach Center Publications, Institute of Mathematics, Polish Academy of Science, 2000), Vol. 52] obtained a global existence result, for the relativistic Boltzmann equation coupled with the Einstein equations and using the Yosida operator, but confusing unfortunately with the nonrelativistic case. Noutchegueme and Dongho [Classical Quantum Gravity 23, 2979 (2006)] and Noutchegueme, Dongho, and Takou [Gen. Relativ. Gravitation 37, 2047 (2005)], have obtained a global solution in time, but still using the Yosida operator and considering only the uncharged case. Noutchegueme and Ayissi [Adv. Stud. Theor. Phys. 4, 855 (2010)] also proved a global existence of solutions to the Maxwell-Boltzmann system using the characteristic method. In this paper, we obtain using a method totally different from those used in the works of Noutchegueme and Dongho [Classical Quantum Gravity 23, 2979 (2006)], Noutchegueme, Dongho, and Takou [Gen. Relativ. Gravitation 37, 2047 (2005)], Noutchegueme and Ayissi [Adv. Stud. Theor. Phys. 4, 855 (2010)], and Mucha [Global existence of solutions of the Einstein-Boltzmann equation in the spatially homogeneous case. Evolution equation, existence, regularity and singularities (Banach Center Publications, Institute of Mathematics, Polish Academy of Science, 2000), Vol. 52] the
A new scheme for solving inhomogeneous Boltzmann equation for electrons in weakly ionised gases
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Mahmoud, M.O.M.; Yousfi, M.
1995-01-01
In the case of weakly ionized gases, the numerical treatment of non-hydrodynamic regime involving spatial variation of distribution function due to boundaries (walls, electrodes, electron source, etc hor-ellipsis) by using direct Boltzmann equation always constitute a challenge if the main collisional processes occurring in non thermal plasmas are to be considered (elastic, inelastic and super-elastic collisions, Penning ionisation, Coulomb interactions, etc hor-ellipsis). In the non-thermal discharge modelling, the inhomogeneous electron Boltzmann equation is needed in order to be coupled for example to a fluid model to take into account the electron non-hydrodynamic effects. This is for example the case of filamentary discharge, in which the space charge electric field due to streamer propagation has a very sharp spatial profile thus leading to important space non-hydrodynamic effects. It is also the case of the cathodic zone of glow discharge where electric field has a rapid spatial decrease until the negative glow. In the present work, a new numerical scheme is proposed to solve the inhomogeneous Boltzmann equation for electrons in the framework of two-term approximation (TTA) taking into account elastic and inelastic processes. Such a method has the usual drawbacks associated with the TTA i.e. not an accurate enough at high E/N values or in presence of high inelastic processes. But the accuracy of this method is considered sufficient because in a next step it is destinated to be coupled to fluid model for charged particles and a chemical kinetic model where the accuracy is of the same order of magnitude or worse. However there are numerous advantages of this method concerning time computing, treatment of non-linear collision processes (Coulomb, Penning, etc hor-ellipsis)
On the effects of the reactive terms in the Boltzmann equation
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C. J. Zamlutti
Full Text Available The effects of the production and loss mechanisms that affect the Boltzmann equations are considered by the inclusion of a reactive term. The necessary elements to develop a proper form for this term are revised and the current trends analyzed. Although no accurate theoretical treatment of the problem is possible due to the many body nature of it, important relations can be derived which, besides being representative of the quantitative aspects of the matter, are illustrative of the qualitative features of the phenomenon. The overall procedure is detailed in this revision.
The Boltzmann-Langevin Equation derived from the real-time path formalism
International Nuclear Information System (INIS)
Suraud, E.; Reinhard, P.G.
1991-01-01
We derive the Boltzmann-Langevin equation using Green's functions techniques in the real-time path formalism. We start from the Martin-Schwinger hierarchy and close it approximately at the two-body level. A careful discussion of the initial conditions for the free two-body Green's function provides the flexibility to recover the discarded correlations as fluctuations leading to the Langevin force. The derivation is generalized to the T-matrix approach which allows to prove that one can use the same effective interaction in the mean-field as well as in the collision term and Langevin force
Tracer sorption and macroscopic transport in clay nano-pores: a lattice-Boltzmann study
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Levesque, Maximilien; Rotenberg, Benjamin; Duvail, Magali; Benichou, Olivier; Voituriez, Raphael; Pagonabarraga, Ignacio; Frenkel, Daan
2012-01-01
followed by making their associated moment to propagate between nodes of a lattice with a probability defined by evolution equations. This evolution with time gives access to macroscopic transport properties like the tracer effective diffusion coefficient. For now, however, the evolution equations do not satisfactorily account for sorption effects as they do not capture their chemical-specific nature. This is our goal to overtake this lack. We have introduced the specific adsorption and desorption mechanisms in the description of tracers transport. This has been done for neutral tracers, as a first step, by introducing a new possible event during the moment propagation of particles standing at solid-liquid interfacial nodes: they may adsorb (desorb) with a probability related to the adsorption and desorption rates of the underlying mechanism occurring at the molecular scale. In order to validate the method and to determine its numerical limitations, we have compared the Lattice-Boltzmann results to an analytical solution developed purposely in the simple geometry consisting of two parallel walls. This last solution comes from a stochastic approach of the longitudinal dynamics of a particle assumed to be driven by a Langevin equation accounting for bulk diffusion and for the adsorption-desorption rates defined above. It is finally shown how sorption phenomena affect the macroscopic transport properties of neutral tracers in geometries and regimes compatible with water in clay nano-pores. (authors)
Advanced diffusion model in compacted bentonite based on modified Poisson-Boltzmann equations
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Yotsuji, K.; Tachi, Y.; Nishimaki, Y.
2012-01-01
Document available in extended abstract form only. Diffusion and sorption of radionuclides in compacted bentonite are the key processes in the safe geological disposal of radioactive waste. JAEA has developed the integrated sorption and diffusion (ISD) model for compacted bentonite by coupling the pore water chemistry, sorption and diffusion processes in consistent way. The diffusion model accounts consistently for cation excess and anion exclusion in narrow pores in compacted bentonite by the electric double layer (EDL) theory. The firstly developed ISD model could predict the diffusivity of the monovalent cation/anion in compacted bentonite as a function of dry density. This ISD model was modified by considering the visco-electric effect, and applied for diffusion data for various radionuclides measured under wide range of conditions (salinity, density, etc.). This modified ISD model can give better quantitative agreement with diffusion data for monovalent cation/anion, however, the model predictions still disagree with experimental data for multivalent cation and complex species. In this study we extract the additional key factors influencing diffusion model in narrow charged pores, and the effects of these factors were investigated to reach a better understanding of diffusion processes in compacted bentonite. We investigated here the dielectric saturation effect and the excluded volume effect into the present ISD model and numerically solved these modified Poisson-Boltzmann equations. In the vicinity of the negatively charged clay surfaces, it is necessary to evaluate concentration distribution of electrolytes considering the dielectric saturation effects. The Poisson-Boltzmann (P-B) equation coupled with the dielectric saturation effects was solved numerically by using Runge-Kutta and Shooting methods. Figure 1(a) shows the concentration distributions of Na + as numerical solutions of the modified and original P-B equations for 0.01 M pore water, 800 kg m -3
Nanoscale roughness effect on Maxwell-like boundary conditions for the Boltzmann equation
Energy Technology Data Exchange (ETDEWEB)
Brull, S., E-mail: Stephane.Brull@math.u-bordeaux.fr; Charrier, P., E-mail: Pierre.Charrier@math.u-bordeaux.fr; Mieussens, L., E-mail: Luc.Mieussens@math.u-bordeaux.fr [University of Bordeaux, CNRS, Bordeaux INP, IMB, UMR 5251, F-33400 Talence (France)
2016-08-15
It is well known that the roughness of the wall has an effect on microscale gas flows. This effect can be shown for large Knudsen numbers by using a numerical solution of the Boltzmann equation. However, when the wall is rough at a nanometric scale, it is necessary to use a very small mesh size which is much too expansive. An alternative approach is to incorporate the roughness effect in the scattering kernel of the boundary condition, such as the Maxwell-like kernel introduced by the authors in a previous paper. Here, we explain how this boundary condition can be implemented in a discrete velocity approximation of the Boltzmann equation. Moreover, the influence of the roughness is shown by computing the structure scattering pattern of mono-energetic beams of the incident gas molecules. The effect of the angle of incidence of these molecules, of their mass, and of the morphology of the wall is investigated and discussed in a simplified two-dimensional configuration. The effect of the azimuthal angle of the incident beams is shown for a three-dimensional configuration. Finally, the case of non-elastic scattering is considered. All these results suggest that our approach is a promising way to incorporate enough physics of gas-surface interaction, at a reasonable computing cost, to improve kinetic simulations of micro- and nano-flows.
Saturation and linear transport equation
International Nuclear Information System (INIS)
Kutak, K.
2009-03-01
We show that the GBW saturation model provides an exact solution to the one dimensional linear transport equation. We also show that it is motivated by the BK equation considered in the saturated regime when the diffusion and the splitting term in the diffusive approximation are balanced by the nonlinear term. (orig.)
Sarna, Neeraj; Torrilhon, Manuel
2018-01-01
We define certain criteria, using the characteristic decomposition of the boundary conditions and energy estimates, which a set of stable boundary conditions for a linear initial boundary value problem, involving a symmetric hyperbolic system, must satisfy. We first use these stability criteria to show the instability of the Maxwell boundary conditions proposed by Grad (Commun Pure Appl Math 2(4):331-407, 1949). We then recognise a special block structure of the moment equations which arises due to the recursion relations and the orthogonality of the Hermite polynomials; the block structure will help us in formulating stable boundary conditions for an arbitrary order Hermite discretization of the Boltzmann equation. The formulation of stable boundary conditions relies upon an Onsager matrix which will be constructed such that the newly proposed boundary conditions stay close to the Maxwell boundary conditions at least in the lower order moments.
AQUASOL: An efficient solver for the dipolar Poisson-Boltzmann-Langevin equation.
Koehl, Patrice; Delarue, Marc
2010-02-14
The Poisson-Boltzmann (PB) formalism is among the most popular approaches to modeling the solvation of molecules. It assumes a continuum model for water, leading to a dielectric permittivity that only depends on position in space. In contrast, the dipolar Poisson-Boltzmann-Langevin (DPBL) formalism represents the solvent as a collection of orientable dipoles with nonuniform concentration; this leads to a nonlinear permittivity function that depends both on the position and on the local electric field at that position. The differences in the assumptions underlying these two models lead to significant differences in the equations they generate. The PB equation is a second order, elliptic, nonlinear partial differential equation (PDE). Its response coefficients correspond to the dielectric permittivity and are therefore constant within each subdomain of the system considered (i.e., inside and outside of the molecules considered). While the DPBL equation is also a second order, elliptic, nonlinear PDE, its response coefficients are nonlinear functions of the electrostatic potential. Many solvers have been developed for the PB equation; to our knowledge, none of these can be directly applied to the DPBL equation. The methods they use may adapt to the difference; their implementations however are PBE specific. We adapted the PBE solver originally developed by Holst and Saied [J. Comput. Chem. 16, 337 (1995)] to the problem of solving the DPBL equation. This solver uses a truncated Newton method with a multigrid preconditioner. Numerical evidences suggest that it converges for the DPBL equation and that the convergence is superlinear. It is found however to be slow and greedy in memory requirement for problems commonly encountered in computational biology and computational chemistry. To circumvent these problems, we propose two variants, a quasi-Newton solver based on a simplified, inexact Jacobian and an iterative self-consistent solver that is based directly on the PBE
Lattice Boltzmann model for high-order nonlinear partial differential equations
Chai, Zhenhua; He, Nanzhong; Guo, Zhaoli; Shi, Baochang
2018-01-01
In this paper, a general lattice Boltzmann (LB) model is proposed for the high-order nonlinear partial differential equation with the form ∂tϕ +∑k=1mαk∂xkΠk(ϕ ) =0 (1 ≤k ≤m ≤6 ), αk are constant coefficients, Πk(ϕ ) are some known differential functions of ϕ . As some special cases of the high-order nonlinear partial differential equation, the classical (m)KdV equation, KdV-Burgers equation, K (n ,n ) -Burgers equation, Kuramoto-Sivashinsky equation, and Kawahara equation can be solved by the present LB model. Compared to the available LB models, the most distinct characteristic of the present model is to introduce some suitable auxiliary moments such that the correct moments of equilibrium distribution function can be achieved. In addition, we also conducted a detailed Chapman-Enskog analysis, and found that the high-order nonlinear partial differential equation can be correctly recovered from the proposed LB model. Finally, a large number of simulations are performed, and it is found that the numerical results agree with the analytical solutions, and usually the present model is also more accurate than the existing LB models [H. Lai and C. Ma, Sci. China Ser. G 52, 1053 (2009), 10.1007/s11433-009-0149-3; H. Lai and C. Ma, Phys. A (Amsterdam) 388, 1405 (2009), 10.1016/j.physa.2009.01.005] for high-order nonlinear partial differential equations.
Lattice Boltzmann model for high-order nonlinear partial differential equations.
Chai, Zhenhua; He, Nanzhong; Guo, Zhaoli; Shi, Baochang
2018-01-01
In this paper, a general lattice Boltzmann (LB) model is proposed for the high-order nonlinear partial differential equation with the form ∂_{t}ϕ+∑_{k=1}^{m}α_{k}∂_{x}^{k}Π_{k}(ϕ)=0 (1≤k≤m≤6), α_{k} are constant coefficients, Π_{k}(ϕ) are some known differential functions of ϕ. As some special cases of the high-order nonlinear partial differential equation, the classical (m)KdV equation, KdV-Burgers equation, K(n,n)-Burgers equation, Kuramoto-Sivashinsky equation, and Kawahara equation can be solved by the present LB model. Compared to the available LB models, the most distinct characteristic of the present model is to introduce some suitable auxiliary moments such that the correct moments of equilibrium distribution function can be achieved. In addition, we also conducted a detailed Chapman-Enskog analysis, and found that the high-order nonlinear partial differential equation can be correctly recovered from the proposed LB model. Finally, a large number of simulations are performed, and it is found that the numerical results agree with the analytical solutions, and usually the present model is also more accurate than the existing LB models [H. Lai and C. Ma, Sci. China Ser. G 52, 1053 (2009)1672-179910.1007/s11433-009-0149-3; H. Lai and C. Ma, Phys. A (Amsterdam) 388, 1405 (2009)PHYADX0378-437110.1016/j.physa.2009.01.005] for high-order nonlinear partial differential equations.
International Nuclear Information System (INIS)
Bianchi, M.P.
1991-01-01
The discrete Boltzmann equation is a mathematical model in the kinetic theory of gases which defines the time and space evolution of a system of gas particles with a finite number of selected velocities. Discrete kinetic theory is an interesting field of research in mathematical physics and applied mathematics for several reasons. One of the relevant fields of application of the discrete Boltzmann equation is the analysis of nonlinear shock wave phenomena. Here, a new multiple collision regular plane model for binary gas mixtures is proposed within the discrete theory of gases and applied to the analysis of the classical problems of shock wave propagation
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Farrell, Patricio; Koprucki, Thomas; Fuhrmann, Jürgen
2017-01-01
We compare three thermodynamically consistent numerical fluxes known in the literature, appearing in a Voronoï finite volume discretization of the van Roosbroeck system with general charge carrier statistics. Our discussion includes an extension of the Scharfetter–Gummel scheme to non-Boltzmann (e.g. Fermi–Dirac) statistics. It is based on the analytical solution of a two-point boundary value problem obtained by projecting the continuous differential equation onto the interval between neighboring collocation points. Hence, it serves as a reference flux. The exact solution of the boundary value problem can be approximated by computationally cheaper fluxes which modify certain physical quantities. One alternative scheme averages the nonlinear diffusion (caused by the non-Boltzmann nature of the problem), another one modifies the effective density of states. To study the differences between these three schemes, we analyze the Taylor expansions, derive an error estimate, visualize the flux error and show how the schemes perform for a carefully designed p-i-n benchmark simulation. We present strong evidence that the flux discretization based on averaging the nonlinear diffusion has an edge over the scheme based on modifying the effective density of states.
Farrell, Patricio; Koprucki, Thomas; Fuhrmann, Jürgen
2017-10-01
We compare three thermodynamically consistent numerical fluxes known in the literature, appearing in a Voronoï finite volume discretization of the van Roosbroeck system with general charge carrier statistics. Our discussion includes an extension of the Scharfetter-Gummel scheme to non-Boltzmann (e.g. Fermi-Dirac) statistics. It is based on the analytical solution of a two-point boundary value problem obtained by projecting the continuous differential equation onto the interval between neighboring collocation points. Hence, it serves as a reference flux. The exact solution of the boundary value problem can be approximated by computationally cheaper fluxes which modify certain physical quantities. One alternative scheme averages the nonlinear diffusion (caused by the non-Boltzmann nature of the problem), another one modifies the effective density of states. To study the differences between these three schemes, we analyze the Taylor expansions, derive an error estimate, visualize the flux error and show how the schemes perform for a carefully designed p-i-n benchmark simulation. We present strong evidence that the flux discretization based on averaging the nonlinear diffusion has an edge over the scheme based on modifying the effective density of states.
A Combined MPI-CUDA Parallel Solution of Linear and Nonlinear Poisson-Boltzmann Equation
Directory of Open Access Journals (Sweden)
José Colmenares
2014-01-01
Full Text Available The Poisson-Boltzmann equation models the electrostatic potential generated by fixed charges on a polarizable solute immersed in an ionic solution. This approach is often used in computational structural biology to estimate the electrostatic energetic component of the assembly of molecular biological systems. In the last decades, the amount of data concerning proteins and other biological macromolecules has remarkably increased. To fruitfully exploit these data, a huge computational power is needed as well as software tools capable of exploiting it. It is therefore necessary to move towards high performance computing and to develop proper parallel implementations of already existing and of novel algorithms. Nowadays, workstations can provide an amazing computational power: up to 10 TFLOPS on a single machine equipped with multiple CPUs and accelerators such as Intel Xeon Phi or GPU devices. The actual obstacle to the full exploitation of modern heterogeneous resources is efficient parallel coding and porting of software on such architectures. In this paper, we propose the implementation of a full Poisson-Boltzmann solver based on a finite-difference scheme using different and combined parallel schemes and in particular a mixed MPI-CUDA implementation. Results show great speedups when using the two schemes, achieving an 18.9x speedup using three GPUs.
International Nuclear Information System (INIS)
Ehnder, A.Ya.; Ehnder, I.A.
1999-01-01
A new approach to develop nonlinear moment method to solve the Boltzmann equation is presented. This approach is based on the invariance of collision integral as to the selection of the base functions. The Sonin polynomials with the Maxwell weighting function are selected to serve as the base functions. It is shown that for the arbitrary cross sections of the interaction the matrix elements corresponding to the moments from the nonlinear integral of collisions are bound by simple recurrent bonds enabling to express all nonlinear matrix elements in terms of the linear ones. As a result, high-efficiency numerical pattern to calculate nonlinear matrix elements is obtained. The presented approach offers possibilities both to calculate relaxation processes within high speed range and to some more complex kinetic problems [ru
Continuous surface force based lattice Boltzmann equation method for simulating thermocapillary flow
International Nuclear Information System (INIS)
Zheng, Lin; Zheng, Song; Zhai, Qinglan
2016-01-01
In this paper, we extend a lattice Boltzmann equation (LBE) with continuous surface force (CSF) to simulate thermocapillary flows. The model is designed on our previous CSF LBE for athermal two phase flow, in which the interfacial tension forces and the Marangoni stresses as the results of the interface interactions between different phases are described by a conception of CSF. In this model, the sharp interfaces between different phases are separated by a narrow transition layers, and the kinetics and morphology evolution of phase separation would be characterized by an order parameter via Cahn–Hilliard equation which is solved in the frame work of LBE. The scalar convection–diffusion equation for temperature field is resolved by thermal LBE. The models are validated by thermal two layered Poiseuille flow, and two superimposed planar fluids at negligibly small Reynolds and Marangoni numbers for the thermocapillary driven convection, which have analytical solutions for the velocity and temperature. Then thermocapillary migration of two/three dimensional deformable droplet are simulated. Numerical results show that the predictions of present LBE agreed with the analytical solution/other numerical results. - Highlights: • A CSF LBE to thermocapillary flows. • Thermal layered Poiseuille flows. • Thermocapillary migration.
Continuous surface force based lattice Boltzmann equation method for simulating thermocapillary flow
Energy Technology Data Exchange (ETDEWEB)
Zheng, Lin, E-mail: lz@njust.edu.cn [School of Energy and Power Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China); Zheng, Song [School of Mathematics and Statistics, Zhejiang University of Finance and Economics, Hangzhou 310018 (China); Zhai, Qinglan [School of Economics Management and Law, Chaohu University, Chaohu 238000 (China)
2016-02-05
In this paper, we extend a lattice Boltzmann equation (LBE) with continuous surface force (CSF) to simulate thermocapillary flows. The model is designed on our previous CSF LBE for athermal two phase flow, in which the interfacial tension forces and the Marangoni stresses as the results of the interface interactions between different phases are described by a conception of CSF. In this model, the sharp interfaces between different phases are separated by a narrow transition layers, and the kinetics and morphology evolution of phase separation would be characterized by an order parameter via Cahn–Hilliard equation which is solved in the frame work of LBE. The scalar convection–diffusion equation for temperature field is resolved by thermal LBE. The models are validated by thermal two layered Poiseuille flow, and two superimposed planar fluids at negligibly small Reynolds and Marangoni numbers for the thermocapillary driven convection, which have analytical solutions for the velocity and temperature. Then thermocapillary migration of two/three dimensional deformable droplet are simulated. Numerical results show that the predictions of present LBE agreed with the analytical solution/other numerical results. - Highlights: • A CSF LBE to thermocapillary flows. • Thermal layered Poiseuille flows. • Thermocapillary migration.
Verschaeve, Joris C G
2011-06-13
By means of the continuity equation of the incompressible Navier-Stokes equations, additional physical arguments for the derivation of a formulation of the no-slip boundary condition for the lattice Boltzmann method for straight walls at rest are obtained. This leads to a boundary condition that is second-order accurate with respect to the grid spacing and conserves mass. In addition, the boundary condition is stable for relaxation frequencies close to two.
Discrete Ordinates Approximations to the First- and Second-Order Radiation Transport Equations
International Nuclear Information System (INIS)
FAN, WESLEY C.; DRUMM, CLIFTON R.; POWELL, JENNIFER L. email wcfan@sandia.gov
2002-01-01
The conventional discrete ordinates approximation to the Boltzmann transport equation can be described in a matrix form. Specifically, the within-group scattering integral can be represented by three components: a moment-to-discrete matrix, a scattering cross-section matrix and a discrete-to-moment matrix. Using and extending these entities, we derive and summarize the matrix representations of the second-order transport equations
Discrete Ordinates Approximations to the First- and Second-Order Radiation Transport Equations
Fan, W C; Powell, J L
2002-01-01
The conventional discrete ordinates approximation to the Boltzmann transport equation can be described in a matrix form. Specifically, the within-group scattering integral can be represented by three components: a moment-to-discrete matrix, a scattering cross-section matrix and a discrete-to-moment matrix. Using and extending these entities, we derive and summarize the matrix representations of the second-order transport equations.
Adomian decomposition method for solving the telegraph equation in charged particle transport
International Nuclear Information System (INIS)
Abdou, M.A.
2005-01-01
In this paper, the analysis for the telegraph equation in case of isotropic small angle scattering from the Boltzmann transport equation for charged particle is presented. The Adomian decomposition is used to solve the telegraph equation. By means of MAPLE the Adomian polynomials of obtained series (ADM) solution have been calculated. The behaviour of the distribution function are shown graphically. The results reported in this article provide further evidence of the usefulness of Adomain decomposition for obtaining solution of linear and nonlinear problems
Asinari, Pietro
2010-10-01
The homogeneous isotropic Boltzmann equation (HIBE) is a fundamental dynamic model for many applications in thermodynamics, econophysics and sociodynamics. Despite recent hardware improvements, the solution of the Boltzmann equation remains extremely challenging from the computational point of view, in particular by deterministic methods (free of stochastic noise). This work aims to improve a deterministic direct method recently proposed [V.V. Aristov, Kluwer Academic Publishers, 2001] for solving the HIBE with a generic collisional kernel and, in particular, for taking care of the late dynamics of the relaxation towards the equilibrium. Essentially (a) the original problem is reformulated in terms of particle kinetic energy (exact particle number and energy conservation during microscopic collisions) and (b) the computation of the relaxation rates is improved by the DVM-like correction, where DVM stands for Discrete Velocity Model (ensuring that the macroscopic conservation laws are exactly satisfied). Both these corrections make possible to derive very accurate reference solutions for this test case. Moreover this work aims to distribute an open-source program (called HOMISBOLTZ), which can be redistributed and/or modified for dealing with different applications, under the terms of the GNU General Public License. The program has been purposely designed in order to be minimal, not only with regards to the reduced number of lines (less than 1000), but also with regards to the coding style (as simple as possible). Program summaryProgram title: HOMISBOLTZ Catalogue identifier: AEGN_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGN_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License No. of lines in distributed program, including test data, etc.: 23 340 No. of bytes in distributed program, including test data, etc.: 7 635 236 Distribution format: tar
Boltzmann-equation simulations of radio-frequency-driven, low-temperature plasmas
International Nuclear Information System (INIS)
Drallos, P.J.; Riley, M.E.
1995-01-01
We present a method for the numerical solution of the Boltzmann equation (BE) describing plasma electrons. We apply the method to a capacitively-coupled, radio-frequency-driven He discharge in parallel-plate (quasi-1D) geometry which contains time scales for physical processes spanning six orders of magnitude. Our BE solution procedure uses the method of characteristics for the Vlasov operator with interpolation in phase space at early time, allowing storage of the distribution function on a fixed phase-space grid. By alternating this BE method with a fluid description of the electrons, or with a novel time-cycle-average equation method, we compute the periodic steady state of a He plasma by time evolution from startup conditions. We find that the results compare favorably with measured current-voltage, plasma density, and ''cited state densities in the ''GEC'' Reference Cell. Our atomic He model includes five levels (some are summed composites), 15 electronic transitions, radiation trapping, and metastable-metastable collisions
Use of the Boltzmann equation for calculating the scattering law in gas mixtures
International Nuclear Information System (INIS)
Eder, O.J.; Lackner, T.
1989-01-01
A new approach is presented for the calculation of the dynamical incoherent structure factor S s (q, ω) for a dilute binary gas mixture. The starting point is the linearized one-dimensional Boltzmann equation for a mixture of particles interacting via a quasi-Maxwell potential (V(r) ≅ 1/r ν , ν=4). It is shown how - in the Fourier-Laplace space (q, ω) - the solution of the Boltzman equation can be expressed as an infinite continued fraction. The well known hydrodynamic limit (q→0) and the free gas limit (q→∞) are correctly reproduced as the appropriate limits of the continued fraction. A brief comparison between S s (q, ω) for two interaction potentials (quasi-Maxwell potential, ν=4, and hard core potential, ν=∞) is presented, and it is found that, after scaling the variables to the respective diffusion coefficients, only little dependence on the potential remains. Furthermore, for a one-component system in three dimensions results are summarized for the dynamical incoherent and coherent structure factor. (orig.) [de
Ladiges, Daniel R.; Sader, John E.
2018-05-01
Nanomechanical resonators and sensors, operated in ambient conditions, often generate low-Mach-number oscillating rarefied gas flows. Cercignani [C. Cercignani, J. Stat. Phys. 1, 297 (1969), 10.1007/BF01007482] proposed a variational principle for the linearized Boltzmann equation, which can be used to derive approximate analytical solutions of steady (time-independent) flows. Here we extend and generalize this principle to unsteady oscillatory rarefied flows and thus accommodate resonating nanomechanical devices. This includes a mathematical approach that facilitates its general use and allows for systematic improvements in accuracy. This formulation is demonstrated for two canonical flow problems: oscillatory Couette flow and Stokes' second problem. Approximate analytical formulas giving the bulk velocity and shear stress, valid for arbitrary oscillation frequency, are obtained for Couette flow. For Stokes' second problem, a simple system of ordinary differential equations is derived which may be solved to obtain the desired flow fields. Using this framework, a simple and accurate formula is provided for the shear stress at the oscillating boundary, again for arbitrary frequency, which may prove useful in application. These solutions are easily implemented on any symbolic or numerical package, such as Mathematica or matlab, facilitating the characterization of flows produced by nanomechanical devices and providing insight into the underlying flow physics.
Boltzmann-equation simulations of radio-frequency-driven, low-temperature plasmas
Energy Technology Data Exchange (ETDEWEB)
Drallos, P.J.; Riley, M.E.
1995-01-01
We present a method for the numerical solution of the Boltzmann equation (BE) describing plasma electrons. We apply the method to a capacitively-coupled, radio-frequency-driven He discharge in parallel-plate (quasi-1D) geometry which contains time scales for physical processes spanning six orders of magnitude. Our BE solution procedure uses the method of characteristics for the Vlasov operator with interpolation in phase space at early time, allowing storage of the distribution function on a fixed phase-space grid. By alternating this BE method with a fluid description of the electrons, or with a novel time-cycle-average equation method, we compute the periodic steady state of a He plasma by time evolution from startup conditions. We find that the results compare favorably with measured current-voltage, plasma density, and ``cited state densities in the ``GEC`` Reference Cell. Our atomic He model includes five levels (some are summed composites), 15 electronic transitions, radiation trapping, and metastable-metastable collisions.
Thermodynamics of Highly Concentrated Aqueous Electrolytes: Based on Boltzmann's eponymous equation
Energy Technology Data Exchange (ETDEWEB)
Ally, Moonis Raza [ORNL
2018-05-01
This sharply focused book invites the reader to explore the chemical thermodynamics of highly concentrated aqueous electrolytes from a different vantage point than traditional methods. The book's foundation is deeply rooted in Ludwig Boltzmann's eponymous equation. The pathway from micro to macro thermodynamics is explained heuristically, in a step-by-step approach. Concepts and mathematical formalism are explained in detail to captivate and maintain interest as the algebra twists and turns. Every significant result is derived in a lucid and piecemeal fashion. Application of the theory is exemplified with examples. It is amazing to realize that Boltamann's simple equation contains sufficient information from which such an elaborate theory can emerge. This book is suitable for undergraduate and graduate level classes in chemical engineering, chemistry, geochemistry, environmental sciences, and those studying aerosol particles in the troposphere. Students interested in understanding how thermodynamic theories may be developed would be inspired by the methodology. The author wishes that readers get as much excitement reading this book as he did writing it.
International Nuclear Information System (INIS)
McGhee, J.M.; Roberts, R.M.; Morel, J.E.
1997-01-01
A spherical harmonics research code (DANTE) has been developed which is compatible with parallel computer architectures. DANTE provides 3-D, multi-material, deterministic, transport capabilities using an arbitrary finite element mesh. The linearized Boltzmann transport equation is solved in a second order self-adjoint form utilizing a Galerkin finite element spatial differencing scheme. The core solver utilizes a preconditioned conjugate gradient algorithm. Other distinguishing features of the code include options for discrete-ordinates and simplified spherical harmonics angular differencing, an exact Marshak boundary treatment for arbitrarily oriented boundary faces, in-line matrix construction techniques to minimize memory consumption, and an effective diffusion based preconditioner for scattering dominated problems. Algorithm efficiency is demonstrated for a massively parallel SIMD architecture (CM-5), and compatibility with MPP multiprocessor platforms or workstation clusters is anticipated
Transport equation and shock waves
International Nuclear Information System (INIS)
Besnard, D.
1981-04-01
A multi-group method is derived from a one dimensional transport equation for the slowing down and spatial transport of energetic positive ions in a plasma. This method is used to calculate the behaviour of energetic charged particles in non homogeneous and non stationary plasma, and the effect of energy deposition of the particles on the heating of the plasma. In that purpose, an equation for the density of fast ions is obtained from the Fokker-Planck equation, and a closure condition for the second moment of this equation is deduced from phenomenological considerations. This method leads to a numerical method, simple and very efficient, which doesn't require much computer storage. Two types of numerical results are obtained. First, results on the slowing down of 3.5 MeV alpha particles in a 50 keV plasma plublished by Corman and al and Moses are compared with the results obtained with both our method and a Monte Carlo type method. Good agreement was obtained, even for energy deposition on the ions of the plasma. Secondly, we have calculated propagation of alpha particles heating a cold plasma. These results are in very good agreement with those given by an accurate Monte Carlo method, for both the thermal velocity, and the energy deposition in the plasma
International Nuclear Information System (INIS)
Dumonteil, E.; Diop, C.M.
2011-01-01
External linking scripts between Monte Carlo transport codes and burnup codes, and complete integration of burnup capability into Monte Carlo transport codes, have been or are currently being developed. Monte Carlo linked burnup methodologies may serve as an excellent benchmark for new deterministic burnup codes used for advanced systems; however, there are some instances where deterministic methodologies break down (i.e., heavily angularly biased systems containing exotic materials without proper group structure) and Monte Carlo burn up may serve as an actual design tool. Therefore, researchers are also developing these capabilities in order to examine complex, three-dimensional exotic material systems that do not contain benchmark data. Providing a reference scheme implies being able to associate statistical errors to any neutronic value of interest like k(eff), reaction rates, fluxes, etc. Usually in Monte Carlo, standard deviations are associated with a particular value by performing different independent and identical simulations (also referred to as 'cycles', 'batches', or 'replicas'), but this is only valid if the calculation itself is not biased. And, as will be shown in this paper, there is a bias in the methodology that consists of coupling transport and depletion codes because Bateman equations are not linear functions of the fluxes or of the reaction rates (those quantities being always measured with an uncertainty). Therefore, we have to quantify and correct this bias. This will be achieved by deriving an unbiased minimum variance estimator of a matrix exponential function of a normal mean. The result is then used to propose a reference scheme to solve Boltzmann/Bateman coupled equations, thanks to Monte Carlo transport codes. Numerical tests will be performed with an ad hoc Monte Carlo code on a very simple depletion case and will be compared to the theoretical results obtained with the reference scheme. Finally, the statistical error propagation
International Nuclear Information System (INIS)
Jiang Minhao; Meng Xujun
2005-01-01
The effect of the free electron background in plasmas is introduced in Hartree-Fock-Slater self-consistent field atomic model to correct the single electron energies for each electron configuration, and to provide accurate atomic data for Boltzmann-Saha equation. In the iteration process chemical potential is adjusted to change the free electron background to satisfy simultaneously the conservation of the free electrons in Saha equation as well as in Hartree-Fock-Slater self-consistent field atomic model. As examples the equations of state of the carbon and aluminum plasmas are calculated to show the applicability of this method. (authors)
International Nuclear Information System (INIS)
Kitazumi, Yuki; Shirai, Osamu; Yamamoto, Masahiro; Kano, Kenji
2013-01-01
Graphical abstract: - Highlights: • Diffuse double layers overlap with each other in the micropore. • The overlapping of the diffuse double layer affects the double layer capacitance. • The electric field becomes weak in the micropore. • The electroneutrality is unsatisfactory in the micropore. - Abstract: The structure of the diffuse double layer around a nm-sized micropore on porous electrodes has been studied by numerical simulation using the Poisson–Boltzmann equation. The double layer capacitance of the microporous electrode strongly depends on the electrode potential, the electrolyte concentration, and the size of the micropore. The potential and the electrolyte concentration dependence of the capacitance is different from that of the planner electrode based on the Gouy's theory. The overlapping of the diffuse double layer becomes conspicuous in the micropore. The overlapped diffuse double layer provides the mild electric field. The intensified electric field exists at the rim of the orifice of the micropore because of the expansion of the diffuse double layers. The characteristic features of microporous electrodes are caused by the heterogeneity of the electric field around the micropores
Quantitative Pointwise Estimate of the Solution of the Linearized Boltzmann Equation
Lin, Yu-Chu; Wang, Haitao; Wu, Kung-Chien
2018-04-01
We study the quantitative pointwise behavior of the solutions of the linearized Boltzmann equation for hard potentials, Maxwellian molecules and soft potentials, with Grad's angular cutoff assumption. More precisely, for solutions inside the finite Mach number region (time like region), we obtain the pointwise fluid structure for hard potentials and Maxwellian molecules, and optimal time decay in the fluid part and sub-exponential time decay in the non-fluid part for soft potentials. For solutions outside the finite Mach number region (space like region), we obtain sub-exponential decay in the space variable. The singular wave estimate, regularization estimate and refined weighted energy estimate play important roles in this paper. Our results extend the classical results of Liu and Yu (Commun Pure Appl Math 57:1543-1608, 2004), (Bull Inst Math Acad Sin 1:1-78, 2006), (Bull Inst Math Acad Sin 6:151-243, 2011) and Lee et al. (Commun Math Phys 269:17-37, 2007) to hard and soft potentials by imposing suitable exponential velocity weight on the initial condition.
Quantitative Pointwise Estimate of the Solution of the Linearized Boltzmann Equation
Lin, Yu-Chu; Wang, Haitao; Wu, Kung-Chien
2018-06-01
We study the quantitative pointwise behavior of the solutions of the linearized Boltzmann equation for hard potentials, Maxwellian molecules and soft potentials, with Grad's angular cutoff assumption. More precisely, for solutions inside the finite Mach number region (time like region), we obtain the pointwise fluid structure for hard potentials and Maxwellian molecules, and optimal time decay in the fluid part and sub-exponential time decay in the non-fluid part for soft potentials. For solutions outside the finite Mach number region (space like region), we obtain sub-exponential decay in the space variable. The singular wave estimate, regularization estimate and refined weighted energy estimate play important roles in this paper. Our results extend the classical results of Liu and Yu (Commun Pure Appl Math 57:1543-1608, 2004), (Bull Inst Math Acad Sin 1:1-78, 2006), (Bull Inst Math Acad Sin 6:151-243, 2011) and Lee et al. (Commun Math Phys 269:17-37, 2007) to hard and soft potentials by imposing suitable exponential velocity weight on the initial condition.
Collisionless Boltzmann equation approach for the study of stellar discs within barred galaxies
Bienaymé, Olivier
2018-04-01
We have studied the kinematics of stellar disc populations within the solar neighbourhood in order to find the imprints of the Galactic bar. We carried out the analysis by developing a numerical resolution of the 2D2V (two-dimensional in the physical space, 2D, and two-dimensional in the velocity motion, 2V) collisionless Boltzmann equation and modelling the stellar motions within the plane of the Galaxy within the solar neighbourhood. We recover similar results to those obtained by other authors using N-body simulations, but we are also able to numerically identify faint structures thanks to the cancelling of the Poisson noise. We find that the ratio of the bar pattern speed to the local circular frequency is in the range ΩB/Ω = 1.77 to 1.91. If the Galactic bar angle orientation is within the range from 24 to 45 degrees, the bar pattern speed is between 46 and 49 km s-1 kpc-1.
Numerical solutions of the semiclassical Boltzmann ellipsoidal-statistical kinetic model equation
Yang, Jaw-Yen; Yan, Chin-Yuan; Huang, Juan-Chen; Li, Zhihui
2014-01-01
Computations of rarefied gas dynamical flows governed by the semiclassical Boltzmann ellipsoidal-statistical (ES) kinetic model equation using an accurate numerical method are presented. The semiclassical ES model was derived through the maximum entropy principle and conserves not only the mass, momentum and energy, but also contains additional higher order moments that differ from the standard quantum distributions. A different decoding procedure to obtain the necessary parameters for determining the ES distribution is also devised. The numerical method in phase space combines the discrete-ordinate method in momentum space and the high-resolution shock capturing method in physical space. Numerical solutions of two-dimensional Riemann problems for two configurations covering various degrees of rarefaction are presented and various contours of the quantities unique to this new model are illustrated. When the relaxation time becomes very small, the main flow features a display similar to that of ideal quantum gas dynamics, and the present solutions are found to be consistent with existing calculations for classical gas. The effect of a parameter that permits an adjustable Prandtl number in the flow is also studied. PMID:25104904
International Nuclear Information System (INIS)
Mishra, Subhash C.; Vernekar, Rohan Ranganath
2012-01-01
Application of the lattice Boltzmann method (LBM) recently proposed by Asinari et al. [Asinari P, Mishra SC, Borchiellini R. A lattice Boltzmann formulation to the analysis of radiative heat transfer problems in a participating medium. Numer Heat Transfer B 2010; 57:126–146] is extended to the analysis of transport of collimated radiation in a planar participating medium. To deal with azimuthally symmetric radiation in planar medium, a new lattice structure for the LBM is used. The transport of the collimated component in the medium is analysed by two different, viz., flux splitting and direct approaches. For different angles of incidence of the collimated radiation, the LBM formulation is tested for the effects of the extinction coefficient, the anisotropy factor, and the boundary emissivities on heat flux and emissive power distributions. Results are compared with the benchmark results obtained using the finite volume method. Both the approaches in LBM provide accurate results. -- Highlights: ► Transport of collimated radiation in participating media is studied. ► Usage of Lattice Boltzmann method (LBM) is extended in this study. ► In LBM, flux splitting and direct approaches are proposed. ► Effects of various parameters are studied on heat flux and temperature profiles. ► In all cases, LBM provides correct results.
International Nuclear Information System (INIS)
Li, Zhihui; Ma, Qiang; Wu, Junlin; Jiang, Xinyu; Zhang, Hanxin
2014-01-01
Based on the Gas-Kinetic Unified Algorithm (GKUA) directly solving the Boltzmann model equation, the effect of rotational non-equilibrium is investigated recurring to the kinetic Rykov model with relaxation property of rotational degrees of freedom. The spin movement of diatomic molecule is described by moment of inertia, and the conservation of total angle momentum is taken as a new Boltzmann collision invariant. The molecular velocity distribution function is integrated by the weight factor on the internal energy, and the closed system of two kinetic controlling equations is obtained with inelastic and elastic collisions. The optimization selection technique of discrete velocity ordinate points and numerical quadrature rules for macroscopic flow variables with dynamic updating evolvement are developed to simulate hypersonic flows, and the gas-kinetic numerical scheme is constructed to capture the time evolution of the discretized velocity distribution functions. The gas-kinetic boundary conditions in thermodynamic non-equilibrium and numerical procedures are studied and implemented by directly acting on the velocity distribution function, and then the unified algorithm of Boltzmann model equation involving non-equilibrium effect is presented for the whole range of flow regimes. The hypersonic flows involving non-equilibrium effect are numerically simulated including the inner flows of shock wave structures in nitrogen with different Mach numbers of 1.5-Ma-25, the planar ramp flow with the whole range of Knudsen numbers of 0.0009-Kn-10 and the three-dimensional re-entering flows around tine double-cone body
Energy Technology Data Exchange (ETDEWEB)
Borges, P. D., E-mail: pdborges@gmail.com, E-mail: lscolfaro@txstate.edu; Scolfaro, L., E-mail: pdborges@gmail.com, E-mail: lscolfaro@txstate.edu [Department of Physics, Texas State University, San Marcos, Texas 78666 (United States)
2014-12-14
The thermoelectric properties of indium nitride in the most stable wurtzite phase (w-InN) as a function of electron and hole concentrations and temperature were studied by solving the semiclassical Boltzmann transport equations in conjunction with ab initio electronic structure calculations, within Density Functional Theory. Based on maximally localized Wannier function basis set and the ab initio band energies, results for the Seebeck coefficient are presented and compared with available experimental data for n-type as well as p-type systems. Also, theoretical results for electric conductivity and power factor are presented. Most cases showed good agreement between the calculated properties and experimental data for w-InN unintentionally and p-type doped with magnesium. Our predictions for temperature and concentration dependences of electrical conductivity and power factor revealed a promising use of InN for intermediate and high temperature thermoelectric applications. The rigid band approach and constant scattering time approximation were utilized in the calculations.
International Nuclear Information System (INIS)
Frank, T.D.
2002-01-01
We study many particle systems in the context of mean field forces, concentration-dependent diffusion coefficients, generalized equilibrium distributions, and quantum statistics. Using kinetic transport theory and linear nonequilibrium thermodynamics we derive for these systems a generalized multivariate Fokker-Planck equation. It is shown that this Fokker-Planck equation describes relaxation processes, has stationary maximum entropy distributions, can have multiple stationary solutions and stationary solutions that differ from Boltzmann distributions
On the transparent conducting oxide Al doped ZnO: First Principles and Boltzmann equations study
Energy Technology Data Exchange (ETDEWEB)
Slassi, A. [Institute of Nanomaterials and Nanotechnology, MAScIR, Rabat (Morocco); LMPHE (URAC 12), Faculté des Sciences, Université Mohammed V-Agdal, Rabat (Morocco); Naji, S. [LMPHE (URAC 12), Faculté des Sciences, Université Mohammed V-Agdal, Rabat (Morocco); Department of Physics, Faculty of Science, Ibb University, Ibb (Yemen); Benyoussef, A. [Institute of Nanomaterials and Nanotechnology, MAScIR, Rabat (Morocco); LMPHE (URAC 12), Faculté des Sciences, Université Mohammed V-Agdal, Rabat (Morocco); Hamedoun, M., E-mail: hamedoun@hotmail.com [Institute of Nanomaterials and Nanotechnology, MAScIR, Rabat (Morocco); El Kenz, A. [LMPHE (URAC 12), Faculté des Sciences, Université Mohammed V-Agdal, Rabat (Morocco)
2014-08-25
Highlights: • The incorporation of Al in ZnO increases the optical band edge absorption. • Incorporated Al creates shallow donor states of Al-3s around Fermi level. • Transmittance decreases in the visible and IR regions, while it increases in the UV region. • Electrical conductivity increases and reaches almost the saturation for high concentration of Al. - Abstract: We report, in this work, a theoretical study on the electronic, optical and electrical properties of pure and Al doped ZnO with different concentrations. In fact, we investigate these properties using both First Principles calculations within TB-mBJ approximation and Boltzmann equations under the constant relaxation time approximation for charge carriers. It is found out that, the calculated lattice parameters and the optical band gap of pure ZnO are close to the experimental values and in a good agreement with the other theoretical studies. It is also observed that, the incorporations of Al in ZnO increase the optical band edge absorption which leads to a blue shift and no deep impurities levels are induced in the band gap as well. More precisely, these incorporations create shallow donor states around Fermi level in the conduction band minimum from mainly Al-3s orbital. Beside this, it is found that, the transmittance is decreased in the visible and IR regions, while it is significantly improved in UV region. Finally, our calculations show that the electrical conductivity is enhanced as a result of Al doping and it reaches almost the saturation for high concentration of Al. These features make Al doped ZnO a transparent conducting electrode for optoelectronic device applications.
Xie, Yang; Ying, Jinyong; Xie, Dexuan
2017-03-30
SMPBS (Size Modified Poisson-Boltzmann Solvers) is a web server for computing biomolecular electrostatics using finite element solvers of the size modified Poisson-Boltzmann equation (SMPBE). SMPBE not only reflects ionic size effects but also includes the classic Poisson-Boltzmann equation (PBE) as a special case. Thus, its web server is expected to have a broader range of applications than a PBE web server. SMPBS is designed with a dynamic, mobile-friendly user interface, and features easily accessible help text, asynchronous data submission, and an interactive, hardware-accelerated molecular visualization viewer based on the 3Dmol.js library. In particular, the viewer allows computed electrostatics to be directly mapped onto an irregular triangular mesh of a molecular surface. Due to this functionality and the fast SMPBE finite element solvers, the web server is very efficient in the calculation and visualization of electrostatics. In addition, SMPBE is reconstructed using a new objective electrostatic free energy, clearly showing that the electrostatics and ionic concentrations predicted by SMPBE are optimal in the sense of minimizing the objective electrostatic free energy. SMPBS is available at the URL: smpbs.math.uwm.edu © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.
The Laplace transformation of adjoint transport equations
International Nuclear Information System (INIS)
Hoogenboom, J.E.
1985-01-01
A clarification is given of the difference between the equation adjoint to the Laplace-transformed time-dependent transport equation and the Laplace-transformed time-dependent adjoint transport equation. Proper procedures are derived to obtain the Laplace transform of the instantaneous detector response. (author)
Boltzmann's "H"-Theorem and the Assumption of Molecular Chaos
Boozer, A. D.
2011-01-01
We describe a simple dynamical model of a one-dimensional ideal gas and use computer simulations of the model to illustrate two fundamental results of kinetic theory: the Boltzmann transport equation and the Boltzmann "H"-theorem. Although the model is time-reversal invariant, both results predict that the behaviour of the gas is time-asymmetric.…
Relativistic Boltzmann theory for a plasma
International Nuclear Information System (INIS)
Erkelens, H. van.
1984-01-01
This thesis gives a self-contained treatment of the relativistic Boltzmann theory for a plasma. Here plasma means any mixture containing electrically charged particles. The relativistic Boltzmann equation is linearized for the case of a plasma. The Chapman-Enskog method is elaborated further for transport phenomena. Linear laws for viscous phenomena are derived. Then the collision term in the Boltzmann theory is dealt with. Using the transport equation, a kinetic theory of wave phenomena is developed and the dissipation of hydromagnetic waves in a relativistic plasma is investigated. In the final chapter, it is demonstrated how the relativistic Boltzmann theory can be applied in cosmology. In doing so, expressions are derived for the electric conductivity of the cosmological plasma in the lepton era, the plasma era and the annihilation era. (Auth.)
Lattice Boltzmann equation calculation of internal, pressure-driven turbulent flow
International Nuclear Information System (INIS)
Hammond, L A; Halliday, I; Care, C M; Stevens, A
2002-01-01
We describe a mixing-length extension of the lattice Boltzmann approach to the simulation of an incompressible liquid in turbulent flow. The method uses a simple, adaptable, closure algorithm to bound the lattice Boltzmann fluid incorporating a law-of-the-wall. The test application, of an internal, pressure-driven and smooth duct flow, recovers correct velocity profiles for Reynolds number to 1.25 x 10 5 . In addition, the Reynolds number dependence of the friction factor in the smooth-wall branch of the Moody chart is correctly recovered. The method promises a straightforward extension to other curves of the Moody chart and to cylindrical pipe flow
Lattice Boltzmann modeling of transport phenomena in fuel cells and flow batteries
Xu, Ao; Shyy, Wei; Zhao, Tianshou
2017-06-01
Fuel cells and flow batteries are promising technologies to address climate change and air pollution problems. An understanding of the complex multiscale and multiphysics transport phenomena occurring in these electrochemical systems requires powerful numerical tools. Over the past decades, the lattice Boltzmann (LB) method has attracted broad interest in the computational fluid dynamics and the numerical heat transfer communities, primarily due to its kinetic nature making it appropriate for modeling complex multiphase transport phenomena. More importantly, the LB method fits well with parallel computing due to its locality feature, which is required for large-scale engineering applications. In this article, we review the LB method for gas-liquid two-phase flows, coupled fluid flow and mass transport in porous media, and particulate flows. Examples of applications are provided in fuel cells and flow batteries. Further developments of the LB method are also outlined.
The 'generalized Balescu-Lenard' transport equations
International Nuclear Information System (INIS)
Mynick, H.E.
1990-01-01
The transport equations arising from the 'generalized Balescu-Lenard' collision operator are obtained and some of their properties examined. The equations contain neoclassical and turbulent transport as two special cases having the same structure. The resultant theory offers a possible explanation for a number of results not well understood, including the anomalous pinch, observed ratios of Q/ΓT on TFTR, and numerical reproduction of ASDEX profiles by a model for turbulent transport invoked without derivation, but by analogy with neoclassical theory. The general equations are specialized to consideration of a number of particular transport mechanisms of interest. (author). Letter-to-the-editor. 10 refs
International Nuclear Information System (INIS)
Mynick, H.E.
1989-05-01
The transport equations arising from the ''generalized Balescu- Lenard'' (gBL) collision operator are obtained, and some of their properties examined. The equations contain neoclassical and turbulent transport as two special cases, having the same structure. The resultant theory offers potential explanation for a number of results not well understood, including the anomalous pinch, observed ratios of Q/ΓT on TFTR, and numerical reproduction of ASDEX profiles by a model for turbulent transport invoked without derivation, but by analogy to neoclassical theory. The general equations are specialized to consideration of a number of particular transport mechanisms of interest. 10 refs
Yan, Zhifeng; Yang, Xiaofan; Li, Siliang; Hilpert, Markus
2017-11-01
The lattice Boltzmann method (LBM) based on single-relaxation-time (SRT) or multiple-relaxation-time (MRT) collision operators is widely used in simulating flow and transport phenomena. The LBM based on two-relaxation-time (TRT) collision operators possesses strengths from the SRT and MRT LBMs, such as its simple implementation and good numerical stability, although tedious mathematical derivations and presentations of the TRT LBM hinder its application to a broad range of flow and transport phenomena. This paper describes the TRT LBM clearly and provides a pseudocode for easy implementation. Various transport phenomena were simulated using the TRT LBM to illustrate its applications in subsurface environments. These phenomena include advection-diffusion in uniform flow, Taylor dispersion in a pipe, solute transport in a packed column, reactive transport in uniform flow, and bacterial chemotaxis in porous media. The TRT LBM demonstrated good numerical performance in terms of accuracy and stability in predicting these transport phenomena. Therefore, the TRT LBM is a powerful tool to simulate various geophysical and biogeochemical processes in subsurface environments.
Ludwig Boltzmann - pioneer of atomistics and evolution
International Nuclear Information System (INIS)
Stiller, W.
1986-01-01
At first a short introduction to Ludwig Boltzmann's life (1844 - 1906) and work is given. Some theoretical results of his work (H-theorem, classical Boltzmann statistics, Boltzmann's kinetic equation) are treated in detail. His experimental work is briefly discussed. In addition Boltzmann's philosophical work is characterized. Finally, the influence of Boltzmann's ideas on our time is investigated. (author)
International Nuclear Information System (INIS)
Ganjaei, A. A.; Nourazar, S. S.
2009-01-01
A new algorithm, the modified direct simulation Monte-Carlo (MDSMC) method, for the simulation of Couette- Taylor gas flow problem is developed. The Taylor series expansion is used to obtain the modified equation of the first order time discretization of the collision equation and the new algorithm, MDSMC, is implemented to simulate the collision equation in the Boltzmann equation. In the new algorithm (MDSMC) there exists a new extra term which takes in to account the effect of the second order collision. This new extra term has the effect of enhancing the appearance of the first Taylor instabilities of vortices streamlines. In the new algorithm (MDSMC) there also exists a second order term in time step in the probabilistic coefficients which has the effect of simulation with higher accuracy than the previous DSMC algorithm. The appearance of the first Taylor instabilities of vortices streamlines using the MDSMC algorithm at different ratios of ω/ν (experimental data of Taylor) occurred at less time-step than using the DSMC algorithm. The results of the torque developed on the stationary cylinder using the MDSMC algorithm show better agreement in comparison with the experimental data of Kuhlthau than the results of the torque developed on the stationary cylinder using the DSMC algorithm
Kanazawa, Kiyoshi; Sueshige, Takumi; Takayasu, Hideki; Takayasu, Misako
2018-03-01
A microscopic model is established for financial Brownian motion from the direct observation of the dynamics of high-frequency traders (HFTs) in a foreign exchange market. Furthermore, a theoretical framework parallel to molecular kinetic theory is developed for the systematic description of the financial market from microscopic dynamics of HFTs. We report first on a microscopic empirical law of traders' trend-following behavior by tracking the trajectories of all individuals, which quantifies the collective motion of HFTs but has not been captured in conventional order-book models. We next introduce the corresponding microscopic model of HFTs and present its theoretical solution paralleling molecular kinetic theory: Boltzmann-like and Langevin-like equations are derived from the microscopic dynamics via the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy. Our model is the first microscopic model that has been directly validated through data analysis of the microscopic dynamics, exhibiting quantitative agreements with mesoscopic and macroscopic empirical results.
Xiong, Yuan
2014-04-28
Spurious current emerging in the vicinity of phase interfaces is a well-known disadvantage of the lattice Boltzmann equation (LBE) for two-phase flows. Previous analysis shows that this unphysical phenomenon comes from the force imbalance at discrete level inherited in LBE (Guo et al 2011 Phys. Rev. E 83 036707). Based on the analysis of the LBE free of checkerboard effects, in this work we further show that the force imbalance is caused by the different discretization stencils: the implicit one from the streaming process and the explicit one from the discretization of the force term. Particularly, the total contribution includes two parts, one from the difference between the intrinsically discretized density (or ideal gas pressure) gradient and the explicit ones in the force term, and the other from the explicit discretized chemical potential gradients in the intrinsically discretized force term. The former contribution is a special feature of LBE which was not realized previously.
Development of interfacial area transport equation
International Nuclear Information System (INIS)
Kim, Seung Jin; Ishii, Mamoru; Kelly, Joseph
2005-01-01
The interfacial area transport equation dynamically models the changes in interfacial structures along the flow field by mechanistically modeling the creation and destruction of dispersed phase. Hence, when employed in the numerical thermal-hydraulic system analysis codes, it eliminates artificial bifurcations stemming from the use of the static flow regime transition criteria. Accounting for the substantial differences in the transport mechanism for various sizes of bubbles, the transport equation is formulated for two characteristic groups of bubbles. The group 1 equation describes the transport of small-dispersed bubbles, whereas the group 2 equation describes the transport of large cap, slug or churn-turbulent bubbles. To evaluate the feasibility and reliability of interfacial area transport equation available at present, it is benchmarked by an extensive database established in various two-phase flow configurations spanning from bubbly to churn-turbulent flow regimes. The geometrical effect in interfacial area transport is examined by the data acquired in vertical air-water two-phase flow through round pipes of various sizes and a confined flow duct, and by those acquired in vertical co-current downward air-water two-phase flow through round pipes of two different sizes
SU-E-T-22: A Deterministic Solver of the Boltzmann-Fokker-Planck Equation for Dose Calculation
Energy Technology Data Exchange (ETDEWEB)
Hong, X; Gao, H [Shanghai Jiao Tong University, Shanghai, Shanghai (China); Paganetti, H [Massachusetts General Hospital, Boston, MA (United States)
2015-06-15
Purpose: The Boltzmann-Fokker-Planck equation (BFPE) accurately models the migration of photons/charged particles in tissues. While the Monte Carlo (MC) method is popular for solving BFPE in a statistical manner, we aim to develop a deterministic BFPE solver based on various state-of-art numerical acceleration techniques for rapid and accurate dose calculation. Methods: Our BFPE solver is based on the structured grid that is maximally parallelizable, with the discretization in energy, angle and space, and its cross section coefficients are derived or directly imported from the Geant4 database. The physical processes that are taken into account are Compton scattering, photoelectric effect, pair production for photons, and elastic scattering, ionization and bremsstrahlung for charged particles.While the spatial discretization is based on the diamond scheme, the angular discretization synergizes finite element method (FEM) and spherical harmonics (SH). Thus, SH is used to globally expand the scattering kernel and FFM is used to locally discretize the angular sphere. As a Result, this hybrid method (FEM-SH) is both accurate in dealing with forward-peaking scattering via FEM, and efficient for multi-energy-group computation via SH. In addition, FEM-SH enables the analytical integration in energy variable of delta scattering kernel for elastic scattering with reduced truncation error from the numerical integration based on the classic SH-based multi-energy-group method. Results: The accuracy of the proposed BFPE solver was benchmarked against Geant4 for photon dose calculation. In particular, FEM-SH had improved accuracy compared to FEM, while both were within 2% of the results obtained with Geant4. Conclusion: A deterministic solver of the Boltzmann-Fokker-Planck equation is developed for dose calculation, and benchmarked against Geant4. Xiang Hong and Hao Gao were partially supported by the NSFC (#11405105), the 973 Program (#2015CB856000) and the Shanghai Pujiang
Simulation of transport equations with Monte Carlo
International Nuclear Information System (INIS)
Matthes, W.
1975-09-01
The main purpose of the report is to explain the relation between the transport equation and the Monte Carlo game used for its solution. The introduction of artificial particles carrying a weight provides one with high flexibility in constructing many different games for the solution of the same equation. This flexibility opens a way to construct a Monte Carlo game for the solution of the adjoint transport equation. Emphasis is laid mostly on giving a clear understanding of what to do and not on the details of how to do a specific game
International Nuclear Information System (INIS)
Khisamutdinov, A I; Velker, N N
2014-01-01
The talk examines a system of pairwise interaction particles, which models a rarefied gas in accordance with the nonlinear Boltzmann equation, the master equations of Markov evolution of this system and corresponding numerical Monte Carlo methods. Selection of some optimal method for simulation of rarefied gas dynamics depends on the spatial size of the gas flow domain. For problems with the Knudsen number K n of order unity 'imitation', or 'continuous time', Monte Carlo methods ([2]) are quite adequate and competitive. However if K n ≤ 0.1 (the large sizes), excessive punctuality, namely, the need to see all the pairs of particles in the latter, leads to a significant increase in computational cost(complexity). We are interested in to construct the optimal methods for Boltzmann equation problems with large enough spatial sizes of the flow. Speaking of the optimal, we mean that we are talking about algorithms for parallel computation to be implemented on high-performance multi-processor computers. The characteristic property of large systems is the weak dependence of sub-parts of each other at a sufficiently small time intervals. This property is taken into account in the approximate methods using various splittings of operator of corresponding master equations. In the paper, we develop the approximate method based on the splitting of the operator of master equations system 'over groups of particles' ([7]). The essence of the method is that the system of particles is divided into spatial subparts which are modeled independently for small intervals of time, using the precise 'imitation' method. The type of splitting used is different from other well-known type 'over collisions and displacements', which is an attribute of the known Direct simulation Monte Carlo methods. The second attribute of the last ones is the grid of the 'interaction cells', which is completely absent in the imitation methods. The
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Rasulova, M.Yu
1998-01-01
A study has been made of a system of charged particles and inhomogeneities randomly distributed in accordance with the same law in the neighborhoods of corresponding sites of a planar crystal lattice. The existence and uniqueness of the solution of the generalized Poisson-Boltzmann's equation for the average self-consistent potential and average density of surface charges are proved. (author)
Wu, Tao; Deng, Kaiming; Deng, Wei-Qiao; Lu, Ruifeng
2017-09-19
BNCX monolayer as a kind of two-dimensional material has numerous chemical atomic ratios and arrangements with different electronic structures. Via calculations on the basis of density functional theory and Boltzmann transport theory under deformation potential approximation, the band structures and carrier mobilities of BNCX (x=1,2,3,4) nanosheets are systematically investigated. The calculated results show that BNC2-1 is a material with very small band gap (0.02 eV) among all the structures while other BNCX monolayers are semiconductors with band gap ranging from 0.51 to 1.32 eV. The carrier mobility of BNCX varies considerably from tens to millions of cm2 V-1 s-1. For BNC2-1, the hole mobility and electron mobility along both x and y directions can reach 105 orders of magnitude, which is similar to the carrier mobility of graphene. Besides, all studied BNCX monolayers obviously have anisotropic hole mobility and electron mobility. In particular, for semiconductor BNC4, its hole mobility along y direction and electron mobility along x direction unexpectedly reach 106 orders of magnitude, even higher than that of graphene. Our findings suggest that BNCX layered materials with proper ratio and arrangement of carbon atoms will possess desirable charge transport properties, exhibiting potential applications in nanoelectronic devices. © 2017 IOP Publishing Ltd.
Lattice Boltzmann method for short-pulsed laser transport in a multi-layered medium
International Nuclear Information System (INIS)
Zhang, Yong; Yi, Hong-Liang; Tan, He-Ping
2015-01-01
We construct a lattice Boltzmann method (LBM) for transient radiative transfer in one-dimensional multi-layered medium with distinct refractive index in each layer. The left boundary is irradiated normally by a short-pulsed laser. The Fresnel interfaces conditions, which incorporate reflection and refraction, are used at the boundaries and the interfaces. Based on the Fresnel's law and Snell's law, the interfacial intensity formulas are introduced. The collimated and diffuse intensities are treated individually. At a transient time step, the collimated component is first solved by LBM and then embedded into the transient radiative transfer equation as a source term. To keep the consistency of the directions in all the layers, angular interpolation of the intensities at the interfaces is adopted. The transient radiative transfer in a two-layer medium is first investigated, and the time-resolved results are validated by comparing with those by the Monte Carlo method (MCM). Of particular interest, the angular intensities along the slab at different times are presented to illustrate a variety of interesting phenomena, and the discontinuous nature of the intensity at the interfaces is discussed. The effects of various parameters on the time-resolved signals are examined. - Highlights: • Transient radiative transfer in a multi-layered medium is solved by LBM. • The boundary and interfaces are all considered as Fresnel surfaces. • The LBM solution for the collimated pulse is derived. • Discontinuous nature of the intensity at the interface is illustrated and discussed
Adaptive integral equation methods in transport theory
International Nuclear Information System (INIS)
Kelley, C.T.
1992-01-01
In this paper, an adaptive multilevel algorithm for integral equations is described that has been developed with the Chandrasekhar H equation and its generalizations in mind. The algorithm maintains good performance when the Frechet derivative of the nonlinear map is singular at the solution, as happens in radiative transfer with conservative scattering and in critical neutron transport. Numerical examples that demonstrate the algorithm's effectiveness are presented
Particle production and Boltzmann integral form of relativistic quantum transport theory
International Nuclear Information System (INIS)
Rafelski, J.; Davis, E.D.; Bialynicki-Birula, I.
1993-01-01
The 3+3+1 dimensional relativistic quantum transport equation for the fermion matter field, combines the particle pair production with flow phenomena, which occur at very different time scale. A direct numerical treatment of dynamical situations is therefore practically impossible. The authors attempt a seperation of these two sectors by the method of prediagonalization of the integral equations. They exploit the structure of the resolvent of the transport equations: it contains two poles corresponding to the flow sector and two to the pair production sector. Their hope for practical applications is to treat matter flow as a classical phenomenon and to be able to obtain an integral term describing the pair production accurately
Construction and analysis of lattice Boltzmann methods applied to a 1D convection-diffusion equation
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Dellacherie, Stephane
2014-01-01
To solve the 1D (linear) convection-diffusion equation, we construct and we analyze two LBM schemes built on the D1Q2 lattice. We obtain these LBM schemes by showing that the 1D convection-diffusion equation is the fluid limit of a discrete velocity kinetic system. Then, we show in the periodic case that these LBM schemes are equivalent to a finite difference type scheme named LFCCDF scheme. This allows us, firstly, to prove the convergence in L∞ of these schemes, and to obtain discrete maximum principles for any time step in the case of the 1D diffusion equation with different boundary conditions. Secondly, this allows us to obtain most of these results for the Du Fort-Frankel scheme for a particular choice of the first iterate. We also underline that these LBM schemes can be applied to the (linear) advection equation and we obtain a stability result in L∞ under a classical CFL condition. Moreover, by proposing a probabilistic interpretation of these LBM schemes, we also obtain Monte-Carlo algorithms which approach the 1D (linear) diffusion equation. At last, we present numerical applications justifying these results. (authors)
International Nuclear Information System (INIS)
Kraloua, B.; Hennad, A.
2008-01-01
The aim of this paper is to determine electric and physical properties by 2D modelling of glow discharge low pressure in continuous regime maintained by term constant source. This electric discharge is confined in reactor plan-parallel geometry. This reactor is filled by Argon monatomic gas. Our continuum model the order two is composed the first three moments the Boltzmann's equations coupled with Poisson's equation by self consistent method. These transport equations are discretized by the finite volumes method. The equations system is resolved by a new technique, it is about the N-BEE explicit scheme using the time splitting method.
Range of validity of transport equations
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Berges, Juergen; Borsanyi, Szabolcs
2006-01-01
Transport equations can be derived from quantum field theory assuming a loss of information about the details of the initial state and a gradient expansion. While the latter can be systematically improved, the assumption about a memory loss is not known to be controlled by a small expansion parameter. We determine the range of validity of transport equations for the example of a scalar g 2 Φ 4 theory. We solve the nonequilibrium time evolution using the three-loop 2PI effective action. The approximation includes off-shell and memory effects and assumes no gradient expansion. This is compared to transport equations to lowest order (LO) and beyond (NLO). We find that the earliest time for the validity of transport equations is set by the characteristic relaxation time scale t damp =-2ω/Σ ρ (eq) , where -Σ ρ (eq) /2 denotes the on-shell imaginary-part of the self-energy. This time scale agrees with the characteristic time for partial memory loss, but is much shorter than thermal equilibration times. For times larger than about t damp the gradient expansion to NLO is found to describe the full results rather well for g 2 (less-or-similar sign)1
A method for solving neutron transport equation
International Nuclear Information System (INIS)
Dimitrijevic, Z.
1993-01-01
The procedure for solving the transport equation by directly integrating for case one-dimensional uniform multigroup medium is shown. The solution is expressed in terms of linear combination of function H n (x,μ), and the coefficient is determined from given conditions. The solution is applied for homogeneous slab of critical thickness. (author)
Alternative formulation of the monokinetic transport equation
International Nuclear Information System (INIS)
Coppa, G.; Ravetto, P.; Sumini, M.
1985-01-01
After recalling a technique already exploited in stationary neutron transport, the dynamic linear monokinetic equation for general geometry is cast into an integro-differential form where a second order space Laplace operator and both a second and first time derivatives appear. The introduced unknowns are given a physical interpretation for plane geometry and their relations with the total flux and current are derived
The transport equation in general geometry
International Nuclear Information System (INIS)
Pomraning, G.C.
1990-01-01
As stated in the introduction to the paper, the motivation for this work was to obtain an explicit form for the streaming operator in the transport equation, which could be used to compute curvature effects in an asymptotic analysis leading to diffusion theory. This sign error was discovered while performing this analysis
Aspheric surface testing by irradiance transport equation
Shomali, Ramin; Darudi, Ahmad; Nasiri, Sadollah; Asgharsharghi Bonab, Armir
2010-10-01
In this paper a method for aspheric surface testing is presented. The method is based on solving the Irradiance Transport Equation (ITE).The accuracy of ITE normally depends on the amount of the pick to valley of the phase distribution. This subject is investigated by a simulation procedure.
Monte Carlo variance reduction approaches for non-Boltzmann tallies
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Booth, T.E.
1992-12-01
Quantities that depend on the collective effects of groups of particles cannot be obtained from the standard Boltzmann transport equation. Monte Carlo estimates of these quantities are called non-Boltzmann tallies and have become increasingly important recently. Standard Monte Carlo variance reduction techniques were designed for tallies based on individual particles rather than groups of particles. Experience with non-Boltzmann tallies and analog Monte Carlo has demonstrated the severe limitations of analog Monte Carlo for many non-Boltzmann tallies. In fact, many calculations absolutely require variance reduction methods to achieve practical computation times. Three different approaches to variance reduction for non-Boltzmann tallies are described and shown to be unbiased. The advantages and disadvantages of each of the approaches are discussed
Bernede, Adrien; Poëtte, Gaël
2018-02-01
In this paper, we are interested in the resolution of the time-dependent problem of particle transport in a medium whose composition evolves with time due to interactions. As a constraint, we want to use of Monte-Carlo (MC) scheme for the transport phase. A common resolution strategy consists in a splitting between the MC/transport phase and the time discretization scheme/medium evolution phase. After going over and illustrating the main drawbacks of split solvers in a simplified configuration (monokinetic, scalar Bateman problem), we build a new Unsplit MC (UMC) solver improving the accuracy of the solutions, avoiding numerical instabilities, and less sensitive to time discretization. The new solver is essentially based on a Monte Carlo scheme with time dependent cross sections implying the on-the-fly resolution of a reduced model for each MC particle describing the time evolution of the matter along their flight path.
Hu, Kainan; Zhang, Hongwu; Geng, Shaojuan
2016-10-01
A decoupled scheme based on the Hermite expansion to construct lattice Boltzmann models for the compressible Navier-Stokes equations with arbitrary specific heat ratio is proposed. The local equilibrium distribution function including the rotational velocity of particle is decoupled into two parts, i.e., the local equilibrium distribution function of the translational velocity of particle and that of the rotational velocity of particle. From these two local equilibrium functions, two lattice Boltzmann models are derived via the Hermite expansion, namely one is in relation to the translational velocity and the other is connected with the rotational velocity. Accordingly, the distribution function is also decoupled. After this, the evolution equation is decoupled into the evolution equation of the translational velocity and that of the rotational velocity. The two evolution equations evolve separately. The lattice Boltzmann models used in the scheme proposed by this work are constructed via the Hermite expansion, so it is easy to construct new schemes of higher-order accuracy. To validate the proposed scheme, a one-dimensional shock tube simulation is performed. The numerical results agree with the analytical solutions very well.
Wei, Linsheng; Xu, Min; Yuan, Dingkun; Zhang, Yafang; Hu, Zhaoji; Tan, Zhihong
2014-10-01
The electron drift velocity, electron energy distribution function (EEDF), density-normalized effective ionization coefficient and density-normalized longitudinal diffusion velocity are calculated in SF6-O2 and SF6-Air mixtures. The experimental results from a pulsed Townsend discharge are plotted for comparison with the numerical results. The reduced field strength varies from 40 Td to 500 Td (1 Townsend=10-17 V·cm2) and the SF6 concentration ranges from 10% to 100%. A Boltzmann equation associated with the two-term spherical harmonic expansion approximation is utilized to gain the swarm parameters in steady-state Townsend. Results show that the accuracy of the Boltzmann solution with a two-term expansion in calculating the electron drift velocity, electron energy distribution function, and density-normalized effective ionization coefficient is acceptable. The effective ionization coefficient presents a distinct relationship with the SF6 content in the mixtures. Moreover, the E/Ncr values in SF6-Air mixtures are higher than those in SF6-O2 mixtures and the calculated value E/Ncr in SF6-O2 and SF6-Air mixtures is lower than the measured value in SF6-N2. Parametric studies conducted on these parameters using the Boltzmann analysis offer substantial insight into the plasma physics, as well as a basis to explore the ozone generation process.
International Nuclear Information System (INIS)
Kunihiro, Teiji; Minami, Yuki; Tsumura, Kyosuke
2009-01-01
The dynamical density fluctuations around the QCD critical point (CP) are analyzed using relativistic dissipative fluid dynamics, and we show that the sound mode around the QCD CP is strongly attenuated whereas the thermal fluctuation stands out there. We speculate that if possible suppression or disappearance of a Mach cone, which seems to be created by the partonic jets at RHIC, is observed as the incident energy of the heavy-ion collisions is decreased, it can be a signal of the existence of the QCD CP. We have presented the Israel-Stewart type fluid dynamic equations that are derived rigorously on the basis of the (dynamical) renormalization group method in the second part of the talk, which we omit here because of a lack of space.
Kunihiro, Teiji; Minami, Yuki; Tsumura, Kyosuke
2009-11-01
The dynamical density fluctuations around the QCD critical point (CP) are analyzed using relativistic dissipative fluid dynamics, and we show that the sound mode around the QCD CP is strongly attenuated whereas the thermal fluctuation stands out there. We speculate that if possible suppression or disappearance of a Mach cone, which seems to be created by the partonic jets at RHIC, is observed as the incident energy of the heavy-ion collisions is decreased, it can be a signal of the existence of the QCD CP. We have presented the Israel-Stewart type fluid dynamic equations that are derived rigorously on the basis of the (dynamical) renormalization group method in the second part of the talk, which we omit here because of a lack of space.
Clarke, Peter; Varghese, Philip; Goldstein, David
2018-01-01
A discrete velocity method is developed for gas mixtures of diatomic molecules with both rotational and vibrational energy states. A full quantized model is described, and rotation-translation and vibration-translation energy exchanges are simulated using a Larsen-Borgnakke exchange model. Elastic and inelastic molecular interactions are modeled during every simulated collision to help produce smooth internal energy distributions. The method is verified by comparing simulations of homogeneous relaxation by our discrete velocity method to numerical solutions of the Jeans and Landau-Teller equations, and to direct simulation Monte Carlo. We compute the structure of a 1D shock using this method, and determine how the rotational energy distribution varies with spatial location in the shock and with position in velocity space.
Eu, Byung Chan
2008-09-07
In the traditional theories of irreversible thermodynamics and fluid mechanics, the specific volume and molar volume have been interchangeably used for pure fluids, but in this work we show that they should be distinguished from each other and given distinctive statistical mechanical representations. In this paper, we present a general formula for the statistical mechanical representation of molecular domain (volume or space) by using the Voronoi volume and its mean value that may be regarded as molar domain (volume) and also the statistical mechanical representation of volume flux. By using their statistical mechanical formulas, the evolution equations of volume transport are derived from the generalized Boltzmann equation of fluids. Approximate solutions of the evolution equations of volume transport provides kinetic theory formulas for the molecular domain, the constitutive equations for molar domain (volume) and volume flux, and the dissipation of energy associated with volume transport. Together with the constitutive equation for the mean velocity of the fluid obtained in a previous paper, the evolution equations for volume transport not only shed a fresh light on, and insight into, irreversible phenomena in fluids but also can be applied to study fluid flow problems in a manner hitherto unavailable in fluid dynamics and irreversible thermodynamics. Their roles in the generalized hydrodynamics will be considered in the sequel.
Moment equation approach to neoclassical transport theory
International Nuclear Information System (INIS)
Hirshman, S.P.
1978-01-01
The neoclassical cross-field fluxes for a toroidally confined, axisymmetric plasma are calculated in terms of the thermodynamic forces from the fluid continuity and momentum balance equations. This macroscopic formulation of neoclassical transport theory unifies the numerous complex expressions for the transport coefficients, previously obtained by solving the Fokker--Planck equation, and elucidates their physical basis. In the large aspect ratio limit, the continuous transition in the scaling of the diffusion coefficient throughout various collisionality regimes is shown to depend on the ratio of parallel viscosity coefficients of the plasma species. Comparison of the present results with the kinetic theory expressions for the neoclassical fluxes determines the parallel viscosity coefficients for a multispecies plasma in the long-mean-free-path regime
Exact solution of the neutron transport equation in spherical geometry
Energy Technology Data Exchange (ETDEWEB)
Anli, Fikret; Akkurt, Abdullah; Yildirim, Hueseyin; Ates, Kemal [Kahramanmaras Suetcue Imam Univ. (Turkey). Faculty of Sciences and Letters
2017-03-15
Solution of the neutron transport equation in one dimensional slab geometry construct a basis for the solution of neutron transport equation in a curvilinear geometry. Therefore, in this work, we attempt to derive an exact analytical benchmark solution for both neutron transport equations in slab and spherical medium by using P{sub N} approximation which is widely used in neutron transport theory.
A Green function of neutron transport equation
International Nuclear Information System (INIS)
Simovic, R.
1993-01-01
In this paper the angularly dependent Green function of the neutron transport equation is derived analytically and approximately. By applying the analytical FDPN approximation up to eighth order, numerical values of the Green functions are obtained with the accuracy of six significant figures in the whole range of parameter c, angle cosine μ and distances x up to the ten optical lengths from the neutron source. (author)
International Nuclear Information System (INIS)
Lafore, P.
1965-01-01
The object of the present work is to draw up a basic set of orthogonal eigenfunctions; resolution of the one-velocity integral-differential Boltzmann equation; this in the case of a spherical geometry system. (author) [fr
Solving the equation of neutron transport
International Nuclear Information System (INIS)
Nasfi, Rim
2009-01-01
This work is devoted to the study of some numerical methods of resolution of the problem of transport of the neutrons. We started by introducing the equation integro-differential transport of the neutrons. Then we applied the finite element method traditional for stationary and nonstationary linear problems in 2D. A great part is reserved for the presentation of the mixed numerical diagram and mixed hybrid with two types of uniform grids: triangular and rectangular. Thereafter we treated some numerical examples by implementations in Matlab in order to test the convergence of each method. To finish, we had results of simulation by the Monte Carlo method on a problem of two-dimensional transport with an aim of comparing them with the results resulting from the finite element method mixed hybrids. Some remarks and prospects conclude this work.
Zhakhovsky, Vasily V; Kryukov, Alexei P; Levashov, Vladimir Yu; Shishkova, Irina N; Anisimov, Sergey I
2018-04-16
Boundary conditions required for numerical solution of the Boltzmann kinetic equation (BKE) for mass/heat transfer between evaporation and condensation surfaces are analyzed by comparison of BKE results with molecular dynamics (MD) simulations. Lennard-Jones potential with parameters corresponding to solid argon is used to simulate evaporation from the hot side, nonequilibrium vapor flow with a Knudsen number of about 0.02, and condensation on the cold side of the condensed phase. The equilibrium density of vapor obtained in MD simulation of phase coexistence is used in BKE calculations for consistency of BKE results with MD data. The collision cross-section is also adjusted to provide a thermal flux in vapor identical to that in MD. Our MD simulations of evaporation toward a nonreflective absorbing boundary show that the velocity distribution function (VDF) of evaporated atoms has the nearly semi-Maxwellian shape because the binding energy of atoms evaporated from the interphase layer between bulk phase and vapor is much smaller than the cohesive energy in the condensed phase. Indeed, the calculated temperature and density profiles within the interphase layer indicate that the averaged kinetic energy of atoms remains near-constant with decreasing density almost until the interphase edge. Using consistent BKE and MD methods, the profiles of gas density, mass velocity, and temperatures together with VDFs in a gap of many mean free paths between the evaporation and condensation surfaces are obtained and compared. We demonstrate that the best fit of BKE results with MD simulations can be achieved with the evaporation and condensation coefficients both close to unity.
International Nuclear Information System (INIS)
Sherrill, M.E.; Abdallah, J. Jr.; Csanak, G.; Kilcrease, D.P.; Dodd, E.S.; Fukuda, Y.; Akahane, Y.; Aoyama, M.; Inoue, N.; Ueda, H.; Yamakawa, K.; Faenov, A.Ya.; Magunov, A.I.; Pikuz, T.A.; Skobelev, I.Yu.
2006-01-01
In this work, we present a model that solves self-consistently the electron and atomic kinetics to characterize highly non-equilibrium plasmas, in particular for those systems where both the electron distribution function is far from Maxwellian and the evolution of the ion level populations are dominated by time-dependent atomic kinetics. In this model, level populations are obtained from a detailed collisional-radiative model where collision rates are computed from a time varying electron distribution function obtained from the solution of the zero-dimensional Boltzmann equation. The Boltzmann collision term includes the effects of electron-electron collisions, electron collisional ionization, excitation and de-excitation. An application for He α spectra from a short pulse laser irradiated argon cluster target will be shown to illustrate the results of our model
Energy Technology Data Exchange (ETDEWEB)
Sherrill, M.E. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States)]. E-mail: manolo@t4.lanl.gov; Abdallah, J. Jr. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Csanak, G. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Kilcrease, D.P. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Dodd, E.S. [Los Alamos National Laboratory, X-1, Los Alamos, NM 87545 (United States); Fukuda, Y. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Akahane, Y. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Aoyama, M. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Inoue, N. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Ueda, H. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Yamakawa, K. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Faenov, A.Ya. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Magunov, A.I. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Pikuz, T.A. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Skobelev, I.Yu. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation)
2006-05-15
In this work, we present a model that solves self-consistently the electron and atomic kinetics to characterize highly non-equilibrium plasmas, in particular for those systems where both the electron distribution function is far from Maxwellian and the evolution of the ion level populations are dominated by time-dependent atomic kinetics. In this model, level populations are obtained from a detailed collisional-radiative model where collision rates are computed from a time varying electron distribution function obtained from the solution of the zero-dimensional Boltzmann equation. The Boltzmann collision term includes the effects of electron-electron collisions, electron collisional ionization, excitation and de-excitation. An application for He{sub {alpha}} spectra from a short pulse laser irradiated argon cluster target will be shown to illustrate the results of our model.
Mean electrostatic and Poisson-Boltzmann models for multicomponent transport through compacted clay
International Nuclear Information System (INIS)
Steefel, C.I.; Galindez, J.M.
2012-01-01
Document available in extended abstract form only. Electrical double layer effects in the pore space of clays become increasingly important as the level of compaction increases and intergrain and interlayer spacings shift towards the range of nano-meters. At such scales, solute transport can no longer be explained by concentration gradients alone and it becomes necessary to include the electrostatic effects on chemical potentials. In fact, the electrical double layer (EDL) that develops in the neighborhood of the negatively charged clay surfaces can extend well into the aqueous phase, effectively constraining the space available to anions (known as anion exclusion), thus distorting the spatial distribution of ionic species in solution. In this study, we make use of two approaches for addressing the accumulation and transport of charged ionic species in the electrical double layers of compacted bentonite: 1) a mean electrostatic approach based on the assumption of Donnan equilibrium, and 2) a 2D numerical approach based on the multicomponent Poisson-Nernst-Planck (NPP) set of equations. For the mean electrostatic or Donnan approach to the electrical double layer [1], two options are considered: 1) a model in which surface complexation in the Stern layer may partly balance the fixed charge of the montmorillonite making up the bentonite buffer, and 2) a model in which the fixed mineral charge is balanced completely by the diffuse layer. In the mean electrostatic approach, one additional equation that balances the charge between the Stern layer and the diffuse layer is added to the multicomponent reactive transport code CrunchFlow. The only additional unknown that is required is the mean electrostatic potential, although it may be necessary in certain cases to consider the volume (or width) of the electrical double layer as an additional implicit unknown. Both ions and neutral species may diffuse within the diffuse layer according to their gradients and species
Energy Technology Data Exchange (ETDEWEB)
Bal, G. [Electricite de France (EDF), Direction des Etudes et Recherches, 92 - Clamart (France)
1997-12-31
Neutron transport in nuclear reactors is well modeled by the linear Boltzmann transport equation. Its resolution is relatively easy but very expensive. To achieve whole core calculations, one has to consider simpler models, such as diffusion or homogeneous transport equations. However, the solutions may become inaccurate in particular situations (as accidents for instance). That is the reason why we wish to solve the equations on small area accurately and more coarsely on the remaining part of the core. It is than necessary to introduce some links between different discretizations or modelizations. In this note, we give some results on the coupling of different discretizations of all degrees of freedom of the integral-differential neutron transport equation (two degrees for the angular variable, on for the energy component, and two or three degrees for spatial position respectively in 2D (cylindrical symmetry) and 3D). Two chapters are devoted to the coupling of discrete ordinates methods (for angular discretization). The first one is theoretical and shows the well posing of the coupled problem, whereas the second one deals with numerical applications of practical interest (the results have been obtained from the neutron transport code developed at the R and D, which has been modified for introducing the coupling). Next, we present the nodal scheme RTN0, used for the spatial discretization. We show well posing results for the non-coupled and the coupled problems. At the end, we deal with the coupling of energy discretizations for the multigroup equations obtained by homogenization. Some theoretical results of the discretization of the velocity variable (well-posing of problems), which do not deal directly with the purposes of coupling, are presented in the annexes. (author). 34 refs.
Maximal stochastic transport in the Lorenz equations
Energy Technology Data Exchange (ETDEWEB)
Agarwal, Sahil, E-mail: sahil.agarwal@yale.edu [Program in Applied Mathematics, Yale University, New Haven (United States); Wettlaufer, J.S., E-mail: john.wettlaufer@yale.edu [Program in Applied Mathematics, Yale University, New Haven (United States); Departments of Geology & Geophysics, Mathematics and Physics, Yale University, New Haven (United States); Mathematical Institute, University of Oxford, Oxford (United Kingdom); Nordita, Royal Institute of Technology and Stockholm University, Stockholm (Sweden)
2016-01-08
We calculate the stochastic upper bounds for the Lorenz equations using an extension of the background method. In analogy with Rayleigh–Bénard convection the upper bounds are for heat transport versus Rayleigh number. As might be expected, the stochastic upper bounds are larger than the deterministic counterpart of Souza and Doering [1], but their variation with noise amplitude exhibits interesting behavior. Below the transition to chaotic dynamics the upper bounds increase monotonically with noise amplitude. However, in the chaotic regime this monotonicity depends on the number of realizations in the ensemble; at a particular Rayleigh number the bound may increase or decrease with noise amplitude. The origin of this behavior is the coupling between the noise and unstable periodic orbits, the degree of which depends on the degree to which the ensemble represents the ergodic set. This is confirmed by examining the close returns plots of the full solutions to the stochastic equations and the numerical convergence of the noise correlations. The numerical convergence of both the ensemble and time averages of the noise correlations is sufficiently slow that it is the limiting aspect of the realization of these bounds. Finally, we note that the full solutions of the stochastic equations demonstrate that the effect of noise is equivalent to the effect of chaos.
International Nuclear Information System (INIS)
Nahavandi, N.; Minuchehr, A.; Zolfaghari, A.; Abbasi, M.
2015-01-01
Highlights: • Powerful hp-SEM refinement approach for P N neutron transport equation has been presented. • The method provides great geometrical flexibility and lower computational cost. • There is a capability of using arbitrary high order and non uniform meshes. • Both posteriori and priori local error estimation approaches have been employed. • High accurate results are compared against other common adaptive and uniform grids. - Abstract: In this work we presented the adaptive hp-SEM approach which is obtained from the incorporation of Spectral Element Method (SEM) and adaptive hp refinement. The SEM nodal discretization and hp adaptive grid-refinement for even-parity Boltzmann neutron transport equation creates powerful grid refinement approach with high accuracy solutions. In this regard a computer code has been developed to solve multi-group neutron transport equation in one-dimensional geometry using even-parity transport theory. The spatial dependence of flux has been developed via SEM method with Lobatto orthogonal polynomial. Two commonly error estimation approaches, the posteriori and the priori has been implemented. The incorporation of SEM nodal discretization method and adaptive hp grid refinement leads to high accurate solutions. Coarser meshes efficiency and significant reduction of computer program runtime in comparison with other common refining methods and uniform meshing approaches is tested along several well-known transport benchmarks
Normal and adjoint integral and integrodifferential neutron transport equations. Pt. 1
International Nuclear Information System (INIS)
Velarde, G.
1976-01-01
Using some simplifying hypotheses, different expressions of the Boltzmann integrodifferential equation are obtained. Posteriorly, they are applied to some particular cases: slowing down, thermalization, multigroups, critical reactors and virtual critical reactors with k, α and lambda. (author)
International Nuclear Information System (INIS)
Roy, Fabrice
2004-01-01
We study the formation of self-gravitating systems and their properties by means of N-body simulations of gravitational collapse. First, we summarize the major analytical results concerning the collisionless Boltzmann equation and the Poisson's equation which describe the dynamics of collisionless gravitational systems. We present a study of some analytical solutions of this coupled system of equations. We then present the software used to perform the simulations. Some of this has been parallelized and implemented with the aid of MPI. For this reason we give a brief overview of it. Finally, we present the results of the numerical simulations. Analysis of these results allows us to explain some features of self-gravitating systems and the initial conditions needed to trigger the Antonov instability and the radial orbit instability. (author) [fr
Numerical solution of the radionuclide transport equation
International Nuclear Information System (INIS)
Hadermann, J.; Roesel, F.
1983-11-01
A numerical solution of the one-dimensional geospheric radionuclide chain transport equation based on the pseudospectral method is developed. The advantages of this approach are flexibility in incorporating space and time dependent migration parameters, arbitrary boundary conditions and solute rock interactions as well as efficiency and reliability. As an application the authors investigate the impact of non-linear sorption isotherms on migration in crystalline rock. It is shown that non-linear sorption, in the present case a Freundlich isotherm, may reduce concentration at the geosphere outlet by orders of magnitude provided the migration time is comparable or larger than the half-life of the nuclide in question. The importance of fixing dispersivity within the continuum approach is stressed. (Auth.)
Lattice Boltzmann method with the cell-population equilibrium
International Nuclear Information System (INIS)
Zhou Xiaoyang; Cheng Bing; Shi Baochang
2008-01-01
The central problem of the lattice Boltzmann method (LBM) is to construct a discrete equilibrium. In this paper, a multi-speed 1D cell-model of Boltzmann equation is proposed, in which the cell-population equilibrium, a direct non-negative approximation to the continuous Maxwellian distribution, plays an important part. By applying the explicit one-order Chapman–Enskog distribution, the model reduces the transportation and collision, two basic evolution steps in LBM, to the transportation of the non-equilibrium distribution. Furthermore, 1D dam-break problem is performed and the numerical results agree well with the analytic solutions
Energy Technology Data Exchange (ETDEWEB)
Mendes, Albert C.R., E-mail: albert@fisica.ufjf.br [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330, Juiz de Fora - MG (Brazil); Takakura, Flavio I., E-mail: takakura@fisica.ufjf.br [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330, Juiz de Fora - MG (Brazil); Abreu, Everton M.C., E-mail: evertonabreu@ufrrj.br [Grupo de Física Teórica e Matemática Física, Departamento de Física, Universidade Federal Rural do Rio de Janeiro, 23890-971, Seropédica - RJ (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330, Juiz de Fora - MG (Brazil); Neto, Jorge Ananias, E-mail: jorge@fisica.ufjf.br [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330, Juiz de Fora - MG (Brazil)
2017-05-15
In this work we have obtained a higher-derivative Lagrangian for a charged fluid coupled with the electromagnetic fluid and the Dirac’s constraints analysis was discussed. A set of first-class constraints fixed by noncovariant gauge condition were obtained. The path integral formalism was used to obtain the partition function for the corresponding higher-derivative Hamiltonian and the Faddeev–Popov ansatz was used to construct an effective Lagrangian. Through the partition function, a Stefan–Boltzmann type law was obtained. - Highlights: • Higher-derivative Lagrangian for a charged fluid. • Electromagnetic coupling and Dirac’s constraint analysis. • Partition function through path integral formalism. • Stefan–Boltzmann-kind law through the partition function.
Fogolari, Federico; Corazza, Alessandra; Esposito, Gennaro
2015-04-05
The generalized Born model in the Onufriev, Bashford, and Case (Onufriev et al., Proteins: Struct Funct Genet 2004, 55, 383) implementation has emerged as one of the best compromises between accuracy and speed of computation. For simulations of nucleic acids, however, a number of issues should be addressed: (1) the generalized Born model is based on a linear model and the linearization of the reference Poisson-Boltmann equation may be questioned for highly charged systems as nucleic acids; (2) although much attention has been given to potentials, solvation forces could be much less sensitive to linearization than the potentials; and (3) the accuracy of the Onufriev-Bashford-Case (OBC) model for nucleic acids depends on fine tuning of parameters. Here, we show that the linearization of the Poisson Boltzmann equation has mild effects on computed forces, and that with optimal choice of the OBC model parameters, solvation forces, essential for molecular dynamics simulations, agree well with those computed using the reference Poisson-Boltzmann model. © 2015 Wiley Periodicals, Inc.
Ludwig Boltzmann: Atomic genius
Energy Technology Data Exchange (ETDEWEB)
Cercignani, C. [Department of Mathematics, Politecnico di Milano (Italy)]. E-mail: carcer@mate.polimi.it
2006-09-15
On the centenary of the death of Ludwig Boltzmann, Carlo Cercignani examines the immense contributions of the man who pioneered our understanding of the atomic nature of matter. The man who first gave a convincing explanation of the irreversibility of the macroscopic world and the symmetry of the laws of physics was the Austrian physicist Ludwig Boltzmann, who tragically committed suicide 100 years ago this month. One of the key figures in the development of the atomic theory of matter, Boltzmann's fame will be forever linked to two fundamental contributions to science. The first was his interpretation of 'entropy' as a mathematically well-defined measure of the disorder of atoms. The second was his derivation of what is now known as the Boltzmann equation, which describes the statistical properties of a gas as made up of molecules. The equation, which described for the first time how a probability can evolve with time, allowed Boltzmann to explain why macroscopic phenomena are irreversible. The key point is that while microscopic objects like atoms can behave reversibly, we never see broken coffee cups reforming because it would involve a long series of highly improbable interactions - and not because it is forbidden by the laws of physics. (U.K.)
Energy Technology Data Exchange (ETDEWEB)
Hao, Liang; Cheng, Ping [Ministry of Education Key Laboratory of Power Machinery and Engineering, School of Mechanical Engineering, Shanghai Jiaotong University, DongChuan Road 800, Shanghai 200240 (China)
2010-06-15
The effect of wettability on water transport dynamics in gas diffusion layer (GDL) is investigated by simulating water invasion in an initially gas-filled GDL using the multiphase free-energy lattice Boltzmann method (LBM). The results show that wettability plays a significant role on water saturation distribution in two-phase flow in the uniform wetting GDL. For highly hydrophobicity, the water transport falls in the regime of capillary fingering, while for neutral wettability, water transport exhibits the characteristic of stable displacement, although both processes are capillary force dominated flow with same capillary numbers. In addition, the introduction of hydrophilic paths in the GDL leads the water to flow through the hydrophilic pores preferentially. The resulting water saturation distributions show that the saturation in the GDL has little change after water breaks through the GDL, and further confirm that the selective introduction of hydrophilic passages in the GDL would facilitate the removal of liquid water more effectively, thus alleviating the flooding in catalyst layer (CL) and GDL. The LBM approach presented in this study provides an effective tool to investigate water transport phenomenon in the GDL at pore-scale level with wettability distribution taken into consideration. (author)
Some results on the neutron transport and the coupling of equations
International Nuclear Information System (INIS)
Bal, G.
1997-01-01
Neutron transport in nuclear reactors is well modeled by the linear Boltzmann transport equation. Its resolution is relatively easy but very expensive. To achieve whole core calculations, one has to consider simpler models, such as diffusion or homogeneous transport equations. However, the solutions may become inaccurate in particular situations (as accidents for instance). That is the reason why we wish to solve the equations on small area accurately and more coarsely on the remaining part of the core. It is than necessary to introduce some links between different discretizations or modelizations. In this note, we give some results on the coupling of different discretizations of all degrees of freedom of the integral-differential neutron transport equation (two degrees for the angular variable, on for the energy component, and two or three degrees for spatial position respectively in 2D (cylindrical symmetry) and 3D). Two chapters are devoted to the coupling of discrete ordinates methods (for angular discretization). The first one is theoretical and shows the well posing of the coupled problem, whereas the second one deals with numerical applications of practical interest (the results have been obtained from the neutron transport code developed at the R and D, which has been modified for introducing the coupling). Next, we present the nodal scheme RTN0, used for the spatial discretization. We show well posing results for the non-coupled and the coupled problems. At the end, we deal with the coupling of energy discretizations for the multigroup equations obtained by homogenization. Some theoretical results of the discretization of the velocity variable (well-posing of problems), which do not deal directly with the purposes of coupling, are presented in the annexes. (author)
On a two-relaxation-time D2Q9 lattice Boltzmann model for the Navier-Stokes equations
Zhao, Weifeng; Wang, Liang; Yong, Wen-An
2018-02-01
In this paper, we are concerned with the stability of some lattice kinetic schemes. First, we show that a recently proposed lattice kinetic scheme is a two-relaxation-time model different from those in the literature. Second, we analyze the stability of the model by verifying the Onsager-like relation. In addition, a necessary stability criterion for hyperbolic relaxation systems is adapted to the lattice Boltzmann method. As an application of this criterion, we find some necessary stability conditions for a previously proposed lattice kinetic scheme. Numerical experiments are conducted to validate the necessary stability conditions.
Scattering theory of the linear Boltzmann operator
International Nuclear Information System (INIS)
Hejtmanek, J.
1975-01-01
In time dependent scattering theory we know three important examples: the wave equation around an obstacle, the Schroedinger and the Dirac equation with a scattering potential. In this paper another example from time dependent linear transport theory is added and considered in full detail. First the linear Boltzmann operator in certain Banach spaces is rigorously defined, and then the existence of the Moeller operators is proved by use of the theorem of Cook-Jauch-Kuroda, that is generalized to the case of a Banach space. (orig.) [de
Fundaments of transport equation splitting and the eigenvalue problem
International Nuclear Information System (INIS)
Stancic, V.
2000-01-01
In order to remove some singularities concerning the boundary conditions of one dimensional transport equation, a split form of transport equation describing the forward i.e. μ≥0, and a backward μ<0 directed neutrons is being proposed here. The eigenvalue problem has also been considered here (author)
Jinuntuya, Fontip; Whiteley, Michael; Chen, Rui; Fly, Ashley
2018-02-01
The Gas Diffusion Layer (GDL) of a Polymer Electrolyte Membrane Fuel Cell (PEMFC) plays a crucial role in overall cell performance. It is responsible for the dissemination of reactant gasses from the gas supply channels to the reactant sites at the Catalyst Layer (CL), and the adequate removal of product water from reactant sites back to the gas channels. Existing research into water transport in GDLs has been simplified to 2D estimations of GDL structures or use virtual stochastic models. This work uses X-ray computed tomography (XCT) to reconstruct three types of GDL in a model. These models are then analysed via Lattice Boltzmann methods to understand the water transport behaviours under differing contact angles and pressure differences. In this study, the three GDL samples were tested over the contact angles of 60°, 80°, 90°, 100°, 120° and 140° under applied pressure differences of 5 kPa, 10 kPa and 15 kPa. By varying the contact angle and pressure difference, it was found that the transition between stable displacement and capillary fingering is not a gradual process. Hydrophilic contact angles in the region of 60°<θ < 90° showed stable displacement properties, whereas contact angles in the region of 100°<θ < 140° displayed capillary fingering characteristics.
Wu, Tao; Deng, Kaiming; Deng, Weiqiao; Lu, Ruifeng
2017-10-19
BNC x monolayer as a kind of two-dimensional material has numerous chemical atomic ratios and arrangements with different electronic structures. Via calculations on the basis of density functional theory and Boltzmann transport theory under deformation potential approximation, the band structures and carrier mobilities of BNC x (x = 1,2,3,4) nanosheets are systematically investigated. The calculated results show that BNC 2 -1 is a material with very small band gap (0.02 eV) among all the structures while other BNC x monolayers are semiconductors with band gap ranging from 0.51 eV to 1.32 eV. The carrier mobility of BNC x varies considerably from tens to millions of cm 2 V -1 s -1 . For BNC 2 -1, the hole mobility and electron mobility along both x and y directions can reach 10 5 orders of magnitude, which is similar to the carrier mobility of graphene. Besides, all studied BNC x monolayers obviously have anisotropic hole mobility and electron mobility. In particular, for semiconductor BNC 4 , its hole mobility along the y direction and electron mobility along the x direction unexpectedly reach 10 6 orders of magnitude, even higher than that of graphene. Our findings suggest that BNC x layered materials with the proper ratio and arrangement of carbon atoms will possess desirable charge transport properties, exhibiting potential applications in nanoelectronic devices.
Theory of contributon transport
International Nuclear Information System (INIS)
Painter, J.W.; Gerstl, S.A.W.; Pomraning, G.C.
1980-10-01
A general discussion of the physics of contributon transport is presented. To facilitate this discussion, a Boltzmann-like transport equation for contributons is obtained, and special contributon cross sections are defined. However, the main goal of this study is to identify contributon transport equations and investigate possible deterministic solution techniques. Four approaches to the deterministic solution of the contributon transport problem are investigated. These approaches are an attempt to exploit certain attractive properties of the contributon flux, psi = phi phi + , where phi and phi + are the solutions to the forward and adjoint Boltzmann transport equations
Lattice Boltzmann method for weakly ionized isothermal plasmas
International Nuclear Information System (INIS)
Li Huayu; Ki, Hyungson
2007-01-01
In this paper, a lattice Boltzmann method (LBM) for weakly ionized isothermal plasmas is presented by introducing a rescaling scheme for the Boltzmann transport equation. Without using this rescaling, we found that the nondimensional relaxation time used in the LBM is too large and the LBM does not produce physically realistic results. The developed model was applied to the electrostatic wave problem and the diffusion process of singly ionized helium plasmas with a 1-3% degree of ionization under an electric field. The obtained results agree well with theoretical values
Numerical solutions of the monoenergetic neutron transport equation with anisotropic scattering
International Nuclear Information System (INIS)
Dahl, B.
1985-01-01
The Boltzmann equation for monoenergetic neutrons has been solved numerically with high accuracy for homogeneous slabs and spheres with various degree of linear anisotropy. Vacuum boundary conditions are used. The numerical method is based on previous work by Carlvik. Benchmark values of the criticality factor and higher order eigenvalues are given for multiplying systems of thickness or diameter from 10 -5 to 20 mean free paths and with anisotropy coefficients from 0.0 to 0.3. For slab geometry, both even and odd mode eigenvalues are treated. With increasing anisotropy, an increasing number of complex eigenvalues is observer. The total flux is calculated from the eigenvector and tables of the fundamental mode flux are given. Accurate extrapolation distances are derived for various dimensions and anisotropy coefficients from our eigenvalue results on slabs and spheres and from the work by Sanchez on infinite cylinders.The time eigenvalue spectrum in subcritical systems has also been studied. First, the connection between the eigenvalues arising from the time dependent and stationary transport equation is established. Based on this, the spectrum of real time eigenvalues in slabs and spheres is calculated. For spheres, the existence of complex time eigenvalues in the region beyond the value corresponding to the Corngold limit is numerically established. The presence of such eigenvalues has earlier not been proved. It is further shown that the Boltzmann equation for a sphere is significantly simplified when the decay constant is at the Corngold limit. The spectrum of sphere diameters corresponding to this decay constant is calculated for various linear anisotropies, and detailed numerical results are given. (Author)
International Nuclear Information System (INIS)
Segur, P.; Balaguer, J.P.
1984-01-01
We use a modified form of the SN method to solve the Boltzmann equation. We are then able to take into account the strong anisotropy of the distribution function which is known to occur in methane and silane. For a given set of cross-sections, the swarm parameters calculated with this method are very different from these published by previous authors (obtained with the standard two term Legendre expansion of the distribution function). The cross sections which we deduce by comparing experimental and calculated values for drift velocity and transversal diffusion coefficient are very different from these of Pollock or Duncan and Walker. With these two new sets of cross sections we make some calculations in mixtures of methane and silane, methane and argon, silane and argon. We note that our results for swarm parameters (at low E/N) are in good agreement with experimental values when they are available
International Nuclear Information System (INIS)
Bartolomaeus, G.; Wilhelm, J.
1983-01-01
Recently, based on the semigroup approach a new proof was presented of the existence of a unique solution of the non-stationary Boltzmann equation for the electron component of a collision dominated plasma. The proof underlies some restriction which should be overcome to extend the validity range to other problems of physical interest. One of the restrictions is the boundary condition applied. The choice of the boundary condition is essential for the proof because it determines the range of definition of the infinitesimal generator and thus the operator semigroup itself. The paper proves the existence of a unique solution for generalized boundary conditions, this solution takes non-negative values, which is necessary for a distribution function from the physical point of view. (author)
Symmetrized neutron transport equation and the fast Fourier transform method
International Nuclear Information System (INIS)
Sinh, N.Q.; Kisynski, J.; Mika, J.
1978-01-01
The differential equation obtained from the neutron transport equation by the application of the source iteration method in two-dimensional rectangular geometry is transformed into a symmetrized form with respect to one of the angular variables. The discretization of the symmetrized equation leads to finite difference equations based on the five-point scheme and solved by use of the fast Fourier transform method. Possible advantages of the approach are shown on test calculations
An integral equation arising in two group neutron transport theory
International Nuclear Information System (INIS)
Cassell, J S; Williams, M M R
2003-01-01
An integral equation describing the fuel distribution necessary to maintain a flat flux in a nuclear reactor in two group transport theory is reduced to the solution of a singular integral equation. The formalism developed enables the physical aspects of the problem to be better understood and its relationship with the corresponding diffusion theory model is highlighted. The integral equation is solved by reducing it to a non-singular Fredholm equation which is then evaluated numerically
Padrino, Juan C.; Sprittles, James; Lockerby, Duncan
2017-11-01
Thermophoresis refers to the forces on and motions of objects caused by temperature gradients when these objects are exposed to rarefied gases. This phenomenon can occur when the ratio of the gas mean free path to the characteristic physical length scale (Knudsen number) is not negligible. In this work, we obtain the thermophoretic force on a rigid, heat-conducting spherical particle immersed in a rarefied gas resulting from a uniform temperature gradient imposed far from the sphere. To this end, we model the gas dynamics using the steady, linearized version of the so-called regularized 13-moment equations (R13). This set of equations, derived from the Boltzmann equation using the moment method, provides closures to the mass, momentum, and energy conservation laws in the form of constitutive, transport equations for the stress and heat flux that extends the Navier-Stokes-Fourier model to include rarefaction effects. Integration of the pressure and stress on the surface of the sphere leads to the net force as a function of the Knudsen number, dimensionless temperature gradient, and particle-to-gas thermal conductivity ratio. Results from this expression are compared with predictions from other moment-based models as well as from kinetic models. Supported in the UK by the Engineering and Physical Sciences Research Council (EP/N016602/1).
Discontinuous Galerkin for the Radiative Transport Equation
Guermond, Jean-Luc; Kanschat, Guido; Ragusa, Jean C.
2013-01-01
This note presents some recent results regarding the approximation of the linear radiative transfer equation using discontinuous Galerkin methods. The locking effect occurring in the diffusion limit with the upwind numerical flux is investigated and a correction technique is proposed.
Discontinuous Galerkin for the Radiative Transport Equation
Guermond, Jean-Luc
2013-10-11
This note presents some recent results regarding the approximation of the linear radiative transfer equation using discontinuous Galerkin methods. The locking effect occurring in the diffusion limit with the upwind numerical flux is investigated and a correction technique is proposed.
Energy Technology Data Exchange (ETDEWEB)
Urbatsch, Todd James [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2015-06-15
We present an overview of radiation transport, covering terminology, blackbody raditation, opacities, Boltzmann transport theory, approximations to the transport equation. Next we introduce several transport methods. We present a section on Caseology, observing transport boundary layers. We briefly broach topics of software development, including verification and validation, and we close with a section on high energy-density experiments that highlight and support radiation transport.
International Nuclear Information System (INIS)
Oeien, A.H.
1980-09-01
For electrons in electric and magnetic fields which collide elastically with neutral atoms or molecules a minute evolution study is made using the multiple time scale method. In this study a set of quasi moment equations is used which is derived from the Boltzmann equation by taking appropriate quasi moments, i.e. velocity moments where the integration is performed only over velocity angles. In a systematic way the evolution in a transient regime is revealed where processes take place on time scales related to the electron-atom collision frequency and electron cyclotron frequency and how the evolution enters a regime where it is governed by a reduced transport equation is shown. This work has relevance to the theory of evolution of gases of charged particles in general and to non-neutral plasmas and partially ionized gases in particular. (Auth.)
Coupled energy-drift and force-balance equations for high-field hot-carrier transport
International Nuclear Information System (INIS)
Huang, Danhong; Alsing, P.M.; Apostolova, T.; Cardimona, D.A.
2005-01-01
Coupled energy-drift and force-balance equations that contain a frictional force for the center-of-mass motion of electrons are derived for hot-electron transport under a strong dc electric field. The frictional force is found to be related to the net rate of phonon emission, which takes away the momentum of a phonon from an electron during each phonon-emission event. The net rate of phonon emission is determined by the Boltzmann scattering equation, which depends on the distribution of electrons interacting with phonons. The work done by the frictional force is included into the energy-drift equation for the electron-relative scattering motion and is found to increase the thermal energy of the electrons. The importance of the hot-electron effect in the energy-drift term under a strong dc field is demonstrated in reducing the field-dependent drift velocity and mobility. The Doppler shift in the energy conservation of scattering electrons interacting with impurities and phonons is found to lead to an anisotropic distribution of electrons in the momentum space along the field direction. The importance of this anisotropic distribution is demonstrated through a comparison with the isotropic energy-balance equation, from which we find that defining a state-independent electron temperature becomes impossible. To the leading order, the energy-drift equation is linearized with a distribution function by expanding it into a Fokker-Planck-type equation, along with the expansions of both the force-balance equation and the Boltzmann scattering equation for hot phonons
Puglisi, Andrea
2015-01-01
This brief offers a concise presentation of granular fluids from the point of view of non-equilibrium statistical physics. The emphasis is on fluctuations, which can be large in granular fluids due to the small system size (the number of grains is many orders of magnitude smaller than in molecular fluids). Firstly, readers will be introduced to the most intriguing experiments on fluidized granular fluids. Then granular fluid theory, which goes through increasing levels of coarse-graining and emerging collective phenomena, is described. Problems and questions are initially posed at the level of kinetic theory, which describes particle densities in full or reduced phase-space. Some answers become clear through hydrodynamics, which describes the evolution of slowly evolving fields. Granular fluctuating hydrodynamics, which builds a bridge to the most recent results in non-equilibrium statistical mechanics, is also introduced. Further and more interesting answers come when the dynamics of a massive intruder are...
Dynamic modeling of interfacial structures via interfacial area transport equation
International Nuclear Information System (INIS)
Seungjin, Kim; Mamoru, Ishii
2005-01-01
The interfacial area transport equation dynamically models the two-phase flow regime transitions and predicts continuous change of the interfacial area concentration along the flow field. Hence, when employed in the numerical thermal-hydraulic system analysis codes, it eliminates artificial bifurcations stemming from the use of the static flow regime transition criteria. Accounting for the substantial differences in the transport phenomena of various sizes of bubbles, the two-group interfacial area transport equations have been developed. The group 1 equation describes the transport of small-dispersed bubbles that are either distorted or spherical in shapes, and the group 2 equation describes the transport of large cap, slug or churn-turbulent bubbles. The source and sink terms in the right-hand-side of the transport equations have been established by mechanistically modeling the creation and destruction of bubbles due to major bubble interaction mechanisms. In the present paper, the interfacial area transport equations currently available are reviewed to address the feasibility and reliability of the model along with extensive experimental results. These include the data from adiabatic upward air-water two-phase flow in round tubes of various sizes, from a rectangular duct, and from adiabatic co-current downward air-water two-phase flow in round pipes of two sizes. (authors)
Directory of Open Access Journals (Sweden)
K. Banoo
1998-01-01
equation in the discrete momentum space. This is shown to be similar to the conventional drift-diffusion equation except that it is a more rigorous solution to the Boltzmann equation because the current and carrier densities are resolved into M×1 vectors, where M is the number of modes in the discrete momentum space. The mobility and diffusion coefficient become M×M matrices which connect the M momentum space modes. This approach is demonstrated by simulating electron transport in bulk silicon.
Multigroup Boltzmann-Fokker-Planck approach for ion transport in amorphous media
Energy Technology Data Exchange (ETDEWEB)
Keen, N.D.; Prinja, A.K.; Dunham, G.D. [New Mexico Univ., Albuquerque, NM (United States). Chemical and Nuclear Engineering Dept.
2001-07-01
We present a MGMC approach for the transport of arbitrary mass ions having energies up to a few MeV. Specifically, we consider interactions with target atoms through Coulomb mediated elastic nuclear and inelastic electronic collisions and restrict considerations to ion implantation and energy deposition of primary ions in amorphous media. (orig.)
A modular spherical harmonics approach to the neutron transport equation
International Nuclear Information System (INIS)
Inanc, F.; Rohach, A.F.
1989-01-01
A modular nodal method was developed for solving the neutron transport equation in 2-D xy coordinates. The spherical harmonic expansion was used for approximating the second-order even-parity form of the neutron transport equation. The boundary conditions of the spherical harmonics approximation were derived in a form to have forms analogous to the partial currents in the neutron diffusion equation. Relations were developed for generating both the second-order spherical harmonic equations and the boundary conditions in an automated computational algorithm. Nodes using different orders of the spherical harmonics approximation to the transport equation were interfaced through mixed-type boundary conditions. The determination of spherical harmonic orders implemented in the nodes were determined by the scheme in an automated manner. Results of the method compared favorably to benchmark problems. (author)
Energy Technology Data Exchange (ETDEWEB)
Fidler, Christian
2011-12-16
Polarisation and Nongaussianity are expected to play a central role in future studies of the cosmic microwave background radiation. Polarisation can be split into a divergence-like E-mode and a curl-like B-mode, of which the later can only be induced by primordial gravitational waves (tensor fluctuations of the metric) at leading order. Nongaussianity is not generated at first order and is directly proportional to the primordial Nongaussianity of inflation. Thus B-mode polarisation and Nongaussianity constrain inflation models directly. While E-mode polarisation has already been detected and is being observed with increasing precision, B-mode polarisation and Nongaussianity remains elusive. The absence of B-mode polarisation when the primordial fluctuations are purely scalar holds, however, only in linear perturbation theory. B-mode polarisation is also generated from scalar sources in second order, which may constitute an important background to the search for primordial gravitational waves. While such an effect would naturally be expected to be relevant at tensor-to-scalar ratios of order 10{sup -5}, which is the size of perturbations in the microwave background, only a full second order calculation can tell whether there are no enhancements. For Nongaussianity the situation is analogous: At second order intrinsic Nongaussianities are induced to the spectrum, which may be an important background to the primordial Nongaussianity. After the full second-order Boltzmann equations for the cosmological evolution of the polarised radiation distribution have become available, I focused on the novel sources to B-mode polarisation that appear in the second-order collision term, which have not been calculated before. In my PHD thesis I developed a numerical code, which solves the second order Boltzmann hierarchy and calculates the C{sub l}{sup BB}-spectrum.
Boltzmann-Fokker-Planck calculations using standard discrete-ordinates codes
International Nuclear Information System (INIS)
Morel, J.E.
1987-01-01
The Boltzmann-Fokker-Planck (BFP) equation can be used to describe both neutral and charged-particle transport. Over the past several years, the author and several collaborators have developed methods for representing Fokker-Planck operators with standard multigroup-Legendre cross-section data. When these data are input to a standard S/sub n/ code such as ONETRAN, the code actually solves the Boltzmann-Fokker-Planck equation rather than the Boltzmann equation. This is achieved wihout any modification to the S/sub n/ codes. Because BFP calculations can be more demanding from a numerical viewpoint than standard neutronics calculations, we have found it useful to implement new quadrature methods ad convergence acceleration methods in the standard discrete-ordinates code, ONETRAN. We discuss our BFP cross-section representation techniques, our improved quadrature and acceleration techniques, and present results from BFP coupled electron-photon transport calculations performed with ONETRAN. 19 refs., 7 figs
Relativistic transport equation for a discontinuity wave of multiplicity one
Energy Technology Data Exchange (ETDEWEB)
Giambo, S; Palumbo, A [Istituto di Matematica, Universita degli Studi, Messina (Italy)
1980-04-14
In the framework of the theory of the singular hypersurfaces, the transport equation for the amplitude of a discontinuity wave, corresponding to a simple characteristic of a quasi-linear hyperbolic system, is established in the context of special relativity.
The accuracy of time dependent transport equation ergodic approximation
International Nuclear Information System (INIS)
Stancic, V.
1995-01-01
In order to predict the accuracy of the ergodic approximation for solving the time dependent transport equation, a comparison with respect to multiple collision and time finite difference methods, has been considered. (author)
Analytical solution to the hybrid diffusion-transport equation
International Nuclear Information System (INIS)
Nanneh, M.M.; Williams, M.M.R.
1986-01-01
A special integral equation was derived in previous work using a hybrid diffusion-transport theory method for calculating the flux distribution in slab lattices. In this paper an analytical solution of this equation has been carried out on a finite reactor lattice. The analytical results of disadvantage factors are shown to be accurate in comparison with the numerical results and accurate transport theory calculations. (author)
An extended step characteristic method for solving the transport equation in general geometries
International Nuclear Information System (INIS)
DeHart, M.D.; Pevey, R.E.; Parish, T.A.
1994-01-01
A method for applying the discrete ordinates method to solve the Boltzmann transport equation on arbitrary two-dimensional meshes has been developed. The finite difference approach normally used to approximate spatial derivatives in extrapolating angular fluxes across a cell is replaced by direct solution of the characteristic form of the transport equation for each discrete direction. Thus, computational cells are not restricted to the geometrical shape of a mesh element characteristic of a given coordinate system. However, in terms of the treatment of energy and angular dependencies, this method resembles traditional discrete ordinates techniques. By using the method developed here, a general two-dimensional space can be approximated by an irregular mesh comprised of arbitrary polygons. Results for a number of test problems have been compared with solutions obtained from traditional methods, with good agreement. Comparisons include benchmarks against analytical results for problems with simple geometry, as well as numerical results obtained from traditional discrete ordinates methods by applying the ANISN and TWOTRAN-II computer programs
Lattice Boltzmann simulation of CO2 reactive transport in network fractured media
Tian, Zhiwei; Wang, Junye
2017-08-01
Carbon dioxide (CO2) geological sequestration plays an important role in mitigating CO2 emissions for climate change. Understanding interactions of the injected CO2 with network fractures and hydrocarbons is key for optimizing and controlling CO2 geological sequestration and evaluating its risks to ground water. However, there is a well-known, difficult process in simulating the dynamic interaction of fracture-matrix, such as dynamic change of matrix porosity, unsaturated processes in rock matrix, and effect of rock mineral properties. In this paper, we develop an explicit model of the fracture-matrix interactions using multilayer bounce-back treatment as a first attempt to simulate CO2 reactive transport in network fractured media through coupling the Dardis's LBM porous model for a new interface treatment. Two kinds of typical fracture networks in porous media are simulated: straight cross network fractures and interleaving network fractures. The reaction rate and porosity distribution are illustrated and well-matched patterns are found. The species concentration distribution and evolution with time steps are also analyzed and compared with different transport properties. The results demonstrate the capability of this model to investigate the complex processes of CO2 geological injection and reactive transport in network fractured media, such as dynamic change of matrix porosity.
Unconditionally stable diffusion-acceleration of the transport equation
International Nuclear Information System (INIS)
Larson, E.W.
1982-01-01
The standard iterative procedure for solving fixed-source discrete-ordinates problems converges very slowly for problems in optically thick regions with scattering ratios c near unity. The diffusion-synthetic acceleration method has been proposed to make use of the fact that for this class of problems, the diffusion equation is often an accurate approximation to the transport equation. However, stability difficulties have historically hampered the implementation of this method for general transport differencing schemes. In this article we discuss a recently developed procedure for obtaining unconditionally stable diffusion-synthetic acceleration methods for various transport differencing schemes. We motivate the analysis by first discussing the exact transport equation; then we illustrate the procedure by deriving a new stable acceleration method for the linear discontinuous transport differencing scheme. We also provide some numerical results
Unconditionally stable diffusion-acceleration of the transport equation
International Nuclear Information System (INIS)
Larsen, E.W.
1982-01-01
The standard iterative procedure for solving fixed-source discrete-ordinates problems converges very slowly for problems in optically large regions with scattering ratios c near unity. The diffusion-synthetic acceleration method has been proposed to make use of the fact that for this class of problems the diffusion equation is often an accurate approximation to the transport equation. However, stability difficulties have historically hampered the implementation of this method for general transport differencing schemes. In this article we discuss a recently developed procedure for obtaining unconditionally stable diffusion-synthetic acceleration methods for various transport differencing schemes. We motivate the analysis by first discussing the exact transport equation; then we illustrate the procedure by deriving a new stable acceleration method for the linear discontinuous transport differencing scheme. We also provide some numerical results
Asinari, Pietro
2009-11-01
A finite difference lattice Boltzmann scheme for homogeneous mixture modeling, which recovers Maxwell-Stefan diffusion model in the continuum limit, without the restriction of the mixture-averaged diffusion approximation, was recently proposed [P. Asinari, Phys. Rev. E 77, 056706 (2008)]. The theoretical basis is the Bhatnagar-Gross-Krook-type kinetic model for gas mixtures [P. Andries, K. Aoki, and B. Perthame, J. Stat. Phys. 106, 993 (2002)]. In the present paper, the recovered macroscopic equations in the continuum limit are systematically investigated by varying the ratio between the characteristic diffusion speed and the characteristic barycentric speed. It comes out that the diffusion speed must be at least one order of magnitude (in terms of Knudsen number) smaller than the barycentric speed, in order to recover the Navier-Stokes equations for mixtures in the incompressible limit. Some further numerical tests are also reported. In particular, (1) the solvent and dilute test cases are considered, because they are limiting cases in which the Maxwell-Stefan model reduces automatically to Fickian cases. Moreover, (2) some tests based on the Stefan diffusion tube are reported for proving the complete capabilities of the proposed scheme in solving Maxwell-Stefan diffusion problems. The proposed scheme agrees well with the expected theoretical results.
A Boltzmann-weighted hopping model of charge transport in organic semicrystalline films
Kwiatkowski, Joe J.; Jimison, Leslie H.; Salleo, Alberto; Spakowitz, Andrew J.
2011-01-01
We present a model of charge transport in polycrystalline electronic films, which considers details of the microscopic scale while simultaneously allowing realistically sized films to be simulated. We discuss the approximations and assumptions made by the model, and rationalize its application to thin films of directionally crystallized poly(3-hexylthiophene). In conjunction with experimental data, we use the model to characterize the effects of defects in these films. Our findings support the hypothesis that it is the directional crystallization of these films, rather than their defects, which causes anisotropic mobilities. © 2011 American Institute of Physics.
Deferred correction approach on generic transport equation
International Nuclear Information System (INIS)
Shah, I.A.; Ali, M.
2004-01-01
In this study, a two dimensional Steady Convection-Diffusion was solved, using Deferred correction approach, and results were compared with standard spatial discretization schemes. Numerical investigations were carried out based on the velocity and flow direction, for various diffusivity coefficients covering a range from diffusive to convective flows. The results show that the Deferred Ted Correction Approach gives more accurate and stable results in relation to UDS and CDs discretization of convective terms. Deferred Correction Approach caters for the wiggles for convective flows in case of central difference discretization of the equation and also caters for the dissipative error generated by the first order upwind discretization of convective fluxes. (author)
International Nuclear Information System (INIS)
Richers, Sherwood; Nagakura, Hiroki; Ott, Christian D.; Dolence, Joshua; Sumiyoshi, Kohsuke; Yamada, Shoichi
2017-01-01
The mechanism driving core-collapse supernovae is sensitive to the interplay between matter and neutrino radiation. However, neutrino radiation transport is very difficult to simulate, and several radiation transport methods of varying levels of approximation are available. We carefully compare for the first time in multiple spatial dimensions the discrete ordinates (DO) code of Nagakura, Yamada, and Sumiyoshi and the Monte Carlo (MC) code Sedonu, under the assumptions of a static fluid background, flat spacetime, elastic scattering, and full special relativity. We find remarkably good agreement in all spectral, angular, and fluid interaction quantities, lending confidence to both methods. The DO method excels in determining the heating and cooling rates in the optically thick region. The MC method predicts sharper angular features due to the effectively infinite angular resolution, but struggles to drive down noise in quantities where subtractive cancellation is prevalent, such as the net gain in the protoneutron star and off-diagonal components of the Eddington tensor. We also find that errors in the angular moments of the distribution functions induced by neglecting velocity dependence are subdominant to those from limited momentum-space resolution. We briefly compare directly computed second angular moments to those predicted by popular algebraic two-moment closures, and we find that the errors from the approximate closures are comparable to the difference between the DO and MC methods. Included in this work is an improved Sedonu code, which now implements a fully special relativistic, time-independent version of the grid-agnostic MC random walk approximation.
Energy Technology Data Exchange (ETDEWEB)
Richers, Sherwood; Nagakura, Hiroki; Ott, Christian D. [TAPIR, Walter Burke Institute for Theoretical Physics, Mail code 350-17, California Institute of Technology, Pasadena, CA 91125 (United States); Dolence, Joshua [CCS-2, Los Alamos National Laboratory, P.O. Box 1663 Los Alamos, NM 87545 (United States); Sumiyoshi, Kohsuke [Numazu College of Technology, Ooka 3600, Numazu, Shizuoka 410-8501 (Japan); Yamada, Shoichi, E-mail: srichers@tapir.caltech.edu [Advanced Research Institute for Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku, Tokyo 169-8555 (Japan)
2017-10-01
The mechanism driving core-collapse supernovae is sensitive to the interplay between matter and neutrino radiation. However, neutrino radiation transport is very difficult to simulate, and several radiation transport methods of varying levels of approximation are available. We carefully compare for the first time in multiple spatial dimensions the discrete ordinates (DO) code of Nagakura, Yamada, and Sumiyoshi and the Monte Carlo (MC) code Sedonu, under the assumptions of a static fluid background, flat spacetime, elastic scattering, and full special relativity. We find remarkably good agreement in all spectral, angular, and fluid interaction quantities, lending confidence to both methods. The DO method excels in determining the heating and cooling rates in the optically thick region. The MC method predicts sharper angular features due to the effectively infinite angular resolution, but struggles to drive down noise in quantities where subtractive cancellation is prevalent, such as the net gain in the protoneutron star and off-diagonal components of the Eddington tensor. We also find that errors in the angular moments of the distribution functions induced by neglecting velocity dependence are subdominant to those from limited momentum-space resolution. We briefly compare directly computed second angular moments to those predicted by popular algebraic two-moment closures, and we find that the errors from the approximate closures are comparable to the difference between the DO and MC methods. Included in this work is an improved Sedonu code, which now implements a fully special relativistic, time-independent version of the grid-agnostic MC random walk approximation.
International Nuclear Information System (INIS)
Ching, J.; Oblow, E.M.; Goldstein, H.
1976-01-01
An algebraic equivalence between the point-energy and multigroup forms of the Boltzmann transport equation is demonstrated that allows the development of a discrete energy, discrete ordinates method for the solution of radiation transport problems. In the discrete energy method, the group averaging required in the cross-section processing for multigroup calculations is replaced by a faster numerical quadrature scheme capable of generating transfer cross sections describing all the physical processes of interest on a fine point-energy grid. Test calculations in which the discrete energy method is compared with the multigroup method show that, for the same energy grid, the discrete energy method is much faster, although somewhat less accurate, than the multigroup method. However, the accuracy of the discrete energy method increases rapidly as the spacing between energy grid points is decreased, approaching that of multigroup calculations. For problems requiring great detail in the energy spectrum, the discrete energy method is therefore expected to be far more economical than the multigroup technique for equivalent accuracy solutions. This advantage of the point method is demonstrated by application to the study of neutron transport in a thick iron slab
Dynamic modeling of interfacial structures via interfacial area transport equation
International Nuclear Information System (INIS)
Seungjin, Kim; Mamoru, Ishii
2004-01-01
Full text of publication follows:In the current thermal-hydraulic system analysis codes using the two-fluid model, the empirical correlations that are based on the two-phase flow regimes and regime transition criteria are being employed as closure relations for the interfacial transfer terms. Due to its inherent shortcomings, however, such static correlations are inaccurate and present serious problems in the numerical analysis. In view of this, a new dynamic approach employing the interfacial area transport equation has been studied. The interfacial area transport equation dynamically models the two-phase flow regime transitions and predicts continuous change of the interfacial area concentration along the flow field. Hence, when employed in the thermal-hydraulic system analysis codes, it eliminates artificial bifurcations stemming from the use of the static flow regime transition criteria. Therefore, the interfacial area transport equation can make a leapfrog improvement in the current capability of the two-fluid model from both scientific and practical point of view. Accounting for the substantial differences in the transport phenomena of various sizes of bubbles, the two-group interfacial area transport equations have been developed. The group 1 equation describes the transport of small-dispersed bubbles that are either distorted or spherical in shapes, and the group 2 equation describes the transport of large cap, slug or churn-turbulent bubbles. The source and sink terms in the right hand-side of the transport equations have been established by mechanistically modeling the creation and destruction of bubbles due to major bubble interaction mechanisms. The coalescence mechanisms include the random collision driven by turbulence, and the entrainment of trailing bubbles in the wake region of the preceding bubble. The disintegration mechanisms include the break-up by turbulence impact, shearing-off at the rim of large cap bubbles and the break-up of large cap
A Generalized Boltzmann Fokker-Planck Method for Coupled Charged Particle Transport
Energy Technology Data Exchange (ETDEWEB)
Prinja, Anil K
2012-01-09
The goal of this project was to develop and investigate the performance of reduced-physics formulations of high energy charged particle (electrons, protons and heavier ions) transport that are computationally more efficient than not only analog Monte Carlo methods but also the established condensed history Monte Carlo technique. Charged particles interact with matter by Coulomb collisions with target nuclei and electrons, by bremsstrahlung radiation loss and by nuclear reactions such as spallation and fission. Of these, inelastic electronic collisions and elastic nuclear collisions are the dominant cause of energy-loss straggling and angular deflection or range straggling of a primary particle. These collisions are characterized by extremely short mean free paths (sub-microns) and highly peaked, near-singular differential cross sections about forward directions and zero energy loss, with the situation for protons and heavier ions more extreme than for electrons. For this reason, analog or truephysics single-event Monte Carlo simulation, while possible in principle, is computationally prohibitive for routine calculation of charged particle interaction phenomena.
Velivelli, A. C.; Bryden, K. M.
2006-03-01
Lattice Boltzmann methods are gaining recognition in the field of computational fluid dynamics due to their computational efficiency. In order to quantify the computational efficiency and accuracy of the lattice Boltzmann method, it is compared with efficient traditional finite difference methods such as the alternating direction implicit scheme. The lattice Boltzmann algorithm implemented in previous studies does not approach peak performance for simulations where the data involved in computation per time step is more than the cache size. Due to this, data is obtained from the main memory and this access is much slower than access to cache memory. Using a cache-optimized lattice Boltzmann algorithm, this paper takes into account the full computational strength of the lattice Boltzmann method. The com parison is performed on both a single processor and multiple processors.
Energy Technology Data Exchange (ETDEWEB)
Bal, G. [Departement MMN, Service IMA, Direction des Etudes et Recherches, Electricite de France (EDF), 92 - Clamart (France)
1995-10-01
Neutron transport in nuclear reactors is quite well modelled by the linear Boltzmann transport equation. Its solution is relatively easy, but unfortunately too expensive to achieve whole core computations. Thus, we have to simplify it, for example by homogenizing some physical characteristics. However, the solution may then be inaccurate. Moreover, in strongly homogeneous areas, the error may be too big. Then we would like to deal with such an inconvenient by solving the equation accurately on this area, but more coarsely away from it, so that the computation is not too expensive. This problem is the subject of a thesis. We present here some results obtained for slab geometry. The couplings between the fine and coarse discretization regions could be conceived in a number of approaches. Here, we only deal with the coupling at crossing the interface between two sub-domains. In the first section, we present the coupling of discrete ordinate methods for solving the homogeneous, isotropic and mono-kinetic equation. Coupling operators are defined and shown to be optimal. The second and the third sections are devoted to an extension of the previous results when the equation is non-homogeneous, anisotropic and multigroup (under some restrictive assumptions). Some numerical results are given in the case of isotropic and mono-kinetic equations. (author) 15 refs.
Energy Technology Data Exchange (ETDEWEB)
Kawakami, H.; Urabe, J.; Yukimura, K. (Doshisha Univ., Kyoto (Japan))
1991-03-20
In a discharge excitation rare gas halide excima laser, uniform generation and stable maintenance of the excited discharge determines the laser characteristics. In this report, an approximate solution was obtained on the Boltzmann equation (frequently used for the theoretical analysis of this laser) to examine the nature of the solution. By optimizing the conversion of the variables, calculation of an electron swarm parameter in the hitherto uncertain range of the low conversion electric field was made possible, giving a generation mechanism of the uncertainty of the excited dischareg. The results are summarized as below. (1) The Boltzmann equation gives a linear solution for a logarithmic value of an electron energy in the range of low conversion electric field. (2) Time-wise responce ability between the measured voltage, current characteristics of the excitation discharge was clarified and the attachment and ionization coefficients calculated by Boltzmann equation. (3) Dependency of the attachment coefficient on the partial pressure of fluorine and kripton was examined, and the attachment coefficient was found to increase with the increase of the partial pressure for the both cases. 20 refs., 9 figs., 2 tabs.
International Nuclear Information System (INIS)
Blaizot, Jean-Paul; Liao, Jinfeng; McLerran, Larry
2014-01-01
To understand the evolution of a dense system of gluons, such as those produced in the early stages of ultra-relativistic heavy ion collisions, is an important and challenging problem. We describe the approach to thermal equilibrium using the small angle approximation for gluon scattering in a Boltzmann equation that includes the effects of Bose statistics. The role of Bose statistical factors in amplifying the rapid growth of the population of the soft modes is essential. With these factors properly taken into account, one finds that elastic scattering alone provides an efficient mechanism for populating soft modes, and in fact leads to rapid infrared local thermalization. Furthermore, recent developments suggest that high initial overpopulation plays a key role and may lead to dynamical Bose–Einstein condensation. The kinetics of condensation is an interesting problem in itself. By solving the transport equation for initial conditions with a large enough initial phase-space density the equilibrium state contains a Bose condensate, and we present numerical evidence that such over-occupied systems reach the onset of Bose–Einstein condensation in a finite time. It is also found that the approach to condensation is characterized by a scaling behavior. Finally we discuss a number of extensions of the present study
Energy Technology Data Exchange (ETDEWEB)
Blaizot, Jean-Paul [Institut de Physique Théorique, CNRS/URA 2306, CEA Saclay, F-91191 Gif-sur-Yvette (France); Liao, Jinfeng [Physics Dept. and CEEM, Indiana University, 2401 N Milo B. Sampson Lane, Bloomington, IN 47408 (United States); RIKEN BNL Research Center, Bldg. 510A, Brookhaven National Laboratory, Upton, NY 11973 (United States); McLerran, Larry [Physics Dept., Bldg. 510A, Brookhaven National Laboratory, Upton, NY 11973 (United States); RIKEN BNL Research Center, Bldg. 510A, Brookhaven National Laboratory, Upton, NY 11973 (United States); Physics Department, China Central Normal University, Wuhan (China)
2014-11-15
To understand the evolution of a dense system of gluons, such as those produced in the early stages of ultra-relativistic heavy ion collisions, is an important and challenging problem. We describe the approach to thermal equilibrium using the small angle approximation for gluon scattering in a Boltzmann equation that includes the effects of Bose statistics. The role of Bose statistical factors in amplifying the rapid growth of the population of the soft modes is essential. With these factors properly taken into account, one finds that elastic scattering alone provides an efficient mechanism for populating soft modes, and in fact leads to rapid infrared local thermalization. Furthermore, recent developments suggest that high initial overpopulation plays a key role and may lead to dynamical Bose–Einstein condensation. The kinetics of condensation is an interesting problem in itself. By solving the transport equation for initial conditions with a large enough initial phase-space density the equilibrium state contains a Bose condensate, and we present numerical evidence that such over-occupied systems reach the onset of Bose–Einstein condensation in a finite time. It is also found that the approach to condensation is characterized by a scaling behavior. Finally we discuss a number of extensions of the present study.
Generalized heat-transport equations: parabolic and hyperbolic models
Rogolino, Patrizia; Kovács, Robert; Ván, Peter; Cimmelli, Vito Antonio
2018-03-01
We derive two different generalized heat-transport equations: the most general one, of the first order in time and second order in space, encompasses some well-known heat equations and describes the hyperbolic regime in the absence of nonlocal effects. Another, less general, of the second order in time and fourth order in space, is able to describe hyperbolic heat conduction also in the presence of nonlocal effects. We investigate the thermodynamic compatibility of both models by applying some generalizations of the classical Liu and Coleman-Noll procedures. In both cases, constitutive equations for the entropy and for the entropy flux are obtained. For the second model, we consider a heat-transport equation which includes nonlocal terms and study the resulting set of balance laws, proving that the corresponding thermal perturbations propagate with finite speed.
Homogenization of the critically spectral equation in neutron transport
Energy Technology Data Exchange (ETDEWEB)
Allaire, G. [CEA Saclay, 91 - Gif-sur-Yvette (France). Dept. de Mecanique et de Technologie]|[Paris-6 Univ., 75 (France). Lab. d' Analyse Numerique; Bal, G. [Electricite de France (EDF), 92 - Clamart (France). Direction des Etudes et Recherches
1998-07-01
We address the homogenization of an eigenvalue problem for the neutron transport equation in a periodic heterogeneous domain, modeling the criticality study of nuclear reactor cores. We prove that the neutron flux, corresponding to the first and unique positive eigenvector, can be factorized in the product of two terms, up to a remainder which goes strongly to zero with the period. On terms is the first eigenvector of the transport equation in the periodicity cell. The other term is the first eigenvector of a diffusion equation in the homogenized domain. Furthermore, the corresponding eigenvalue gives a second order corrector for the eigenvalue of the heterogeneous transport problem. This result justifies and improves the engineering procedure used in practice for nuclear reactor cores computations. (author)
Homogenization of the critically spectral equation in neutron transport
International Nuclear Information System (INIS)
Allaire, G.; Paris-6 Univ., 75; Bal, G.
1998-01-01
We address the homogenization of an eigenvalue problem for the neutron transport equation in a periodic heterogeneous domain, modeling the criticality study of nuclear reactor cores. We prove that the neutron flux, corresponding to the first and unique positive eigenvector, can be factorized in the product of two terms, up to a remainder which goes strongly to zero with the period. On terms is the first eigenvector of the transport equation in the periodicity cell. The other term is the first eigenvector of a diffusion equation in the homogenized domain. Furthermore, the corresponding eigenvalue gives a second order corrector for the eigenvalue of the heterogeneous transport problem. This result justifies and improves the engineering procedure used in practice for nuclear reactor cores computations. (author)
Stable solutions of nonlocal electron heat transport equations
International Nuclear Information System (INIS)
Prasad, M.K.; Kershaw, D.S.
1991-01-01
Electron heat transport equations with a nonlocal heat flux are in general ill-posed and intrinsically unstable, as proved by the present authors [Phys. Fluids B 1, 2430 (1989)]. A straightforward numerical solution of these equations will therefore lead to absurd results. It is shown here that by imposing a minimal set of constraints on the problem it is possible to arrive at a globally stable, consistent, and energy conserving numerical solution
Solution of the transport equation with account for inelastic collisions
International Nuclear Information System (INIS)
Kalashnikov, N.P.; Remizovich, V.S.; Ryazanov, M.I.
1980-01-01
The theory of charged particle scattering in a matter with account for inelastic collisions is considered. In ''directly-forward'' approximation the transport equation at the absence of elastic collisions is obtained. The solution of the transport equation is made without and with account for fluctuation of energy losses. Formulas for path-energy relation are given. Energy spectrum and distribution of fast charged particles with respect to paths are studied. The problem of quantum mechanical approach to the theory of multiple scattering of fast charged particles in a matter is discussed briefly
Quantum Non-Markovian Langevin Equations and Transport Coefficients
International Nuclear Information System (INIS)
Sargsyan, V.V.; Antonenko, N.V.; Kanokov, Z.; Adamian, G.G.
2005-01-01
Quantum diffusion equations featuring explicitly time-dependent transport coefficients are derived from generalized non-Markovian Langevin equations. Generalized fluctuation-dissipation relations and analytic expressions for calculating the friction and diffusion coefficients in nuclear processes are obtained. The asymptotic behavior of the transport coefficients and correlation functions for a damped harmonic oscillator that is linearly coupled in momentum to a heat bath is studied. The coupling to a heat bath in momentum is responsible for the appearance of the diffusion coefficient in coordinate. The problem of regression of correlations in quantum dissipative systems is analyzed
Two-scale approach to oscillatory singularly perturbed transport equations
Frénod, Emmanuel
2017-01-01
This book presents the classical results of the two-scale convergence theory and explains – using several figures – why it works. It then shows how to use this theory to homogenize ordinary differential equations with oscillating coefficients as well as oscillatory singularly perturbed ordinary differential equations. In addition, it explores the homogenization of hyperbolic partial differential equations with oscillating coefficients and linear oscillatory singularly perturbed hyperbolic partial differential equations. Further, it introduces readers to the two-scale numerical methods that can be built from the previous approaches to solve oscillatory singularly perturbed transport equations (ODE and hyperbolic PDE) and demonstrates how they can be used efficiently. This book appeals to master’s and PhD students interested in homogenization and numerics, as well as to the Iter community.
Czech Academy of Sciences Publication Activity Database
Sinitsyn, N. A.; MacDonald, A. H.; Jungwirth, Tomáš; Dugaev, V.K.; Sinova, J.
2007-01-01
Roč. 75, č. 4 (2007), 045315/1-045315/13 ISSN 1098-0121 Grant - others:NSF(XE) DMR-0547875; POCI(PT) POCI/FIS/58746/2004; Polish State Commitee for Scientific Research(PL) 2 P03B 05, 25; STCU(UA) 3098; DOE(GB) DE-FG03- 2ER45958 Institutional research plan: CEZ:AV0Z10100521 Keywords : anomalous Hall effect, * quantum and semiclassical transport theory Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.172, year: 2007
Exactly averaged equations for flow and transport in random media
International Nuclear Information System (INIS)
Shvidler, Mark; Karasaki, Kenzi
2001-01-01
It is well known that exact averaging of the equations of flow and transport in random porous media can be realized only for a small number of special, occasionally exotic, fields. On the other hand, the properties of approximate averaging methods are not yet fully understood. For example, the convergence behavior and the accuracy of truncated perturbation series. Furthermore, the calculation of the high-order perturbations is very complicated. These problems for a long time have stimulated attempts to find the answer for the question: Are there in existence some exact general and sufficiently universal forms of averaged equations? If the answer is positive, there arises the problem of the construction of these equations and analyzing them. There exist many publications related to these problems and oriented on different applications: hydrodynamics, flow and transport in porous media, theory of elasticity, acoustic and electromagnetic waves in random fields, etc. We present a method of finding the general form of exactly averaged equations for flow and transport in random fields by using (1) an assumption of the existence of Green's functions for appropriate stochastic problems, (2) some general properties of the Green's functions, and (3) the some basic information about the random fields of the conductivity, porosity and flow velocity. We present a general form of the exactly averaged non-local equations for the following cases. 1. Steady-state flow with sources in porous media with random conductivity. 2. Transient flow with sources in compressible media with random conductivity and porosity. 3. Non-reactive solute transport in random porous media. We discuss the problem of uniqueness and the properties of the non-local averaged equations, for the cases with some types of symmetry (isotropic, transversal isotropic, orthotropic) and we analyze the hypothesis of the structure non-local equations in general case of stochastically homogeneous fields. (author)
An Implementation of Interfacial Transport Equation into the CUPID code
Energy Technology Data Exchange (ETDEWEB)
Park, Ik Kyu; Cho, Heong Kyu; Yoon, Han Young; Jeong, Jae Jun
2009-11-15
A component scale thermal hydraulic analysis code, CUPID (Component Unstructured Program for Interfacial Dynamics), is being developed for the analysis of components for a nuclear reactor, such as reactor vessel, steam generator, containment, etc. It adopted a three-dimensional, transient, two phase and three-field model. In order to develop the numerical schemes for the three-field model, various numerical schemes have been examined including the SMAS, semi-implicit ICE, SIMPLE. The governing equations for a 2-phase flow are composed of mass, momentum, and energy conservation equations for each phase. These equation sets are closed by the interfacial transfer rate of mass, momentum, and energy. The interfacial transfer of mass, momentum, and energy occurs through the interfacial area, and this area plays an important role in the transfer rate. The flow regime based correlations are used for calculating the interracial area in the traditional style 2-phase flow model. This is dependent upon the flow regime and is limited to the fully developed 2-phase flow region. Its application to the multi-dimensional 2-phase flow has some limitation because it adopts the measured results of 2-phase flow in the 1-dimensional tube. The interfacial area concentration transport equation had been suggested in order to calculate the interfacial area without the interfacial area correlations. The source terms to close the interfacial area transport equation should be further developed for a wide ranger usage of it. In this study, the one group interfacial area concentration transport equation has been implemented into the CUPID code. This interfacial area concentration transport equation can be used instead of the interfacial area concentration correlations for the bubbly flow region.
An Implementation of Interfacial Transport Equation into the CUPID code
International Nuclear Information System (INIS)
Park, Ik Kyu; Cho, Heong Kyu; Yoon, Han Young; Jeong, Jae Jun
2009-11-01
A component scale thermal hydraulic analysis code, CUPID (Component Unstructured Program for Interfacial Dynamics), is being developed for the analysis of components for a nuclear reactor, such as reactor vessel, steam generator, containment, etc. It adopted a three-dimensional, transient, two phase and three-field model. In order to develop the numerical schemes for the three-field model, various numerical schemes have been examined including the SMAS, semi-implicit ICE, SIMPLE. The governing equations for a 2-phase flow are composed of mass, momentum, and energy conservation equations for each phase. These equation sets are closed by the interfacial transfer rate of mass, momentum, and energy. The interfacial transfer of mass, momentum, and energy occurs through the interfacial area, and this area plays an important role in the transfer rate. The flow regime based correlations are used for calculating the interracial area in the traditional style 2-phase flow model. This is dependent upon the flow regime and is limited to the fully developed 2-phase flow region. Its application to the multi-dimensional 2-phase flow has some limitation because it adopts the measured results of 2-phase flow in the 1-dimensional tube. The interfacial area concentration transport equation had been suggested in order to calculate the interfacial area without the interfacial area correlations. The source terms to close the interfacial area transport equation should be further developed for a wide ranger usage of it. In this study, the one group interfacial area concentration transport equation has been implemented into the CUPID code. This interfacial area concentration transport equation can be used instead of the interfacial area concentration correlations for the bubbly flow region
Energy Technology Data Exchange (ETDEWEB)
Wang, Chi-Jen [Iowa State Univ., Ames, IA (United States)
2013-01-01
In this thesis, we analyze both the spatiotemporal behavior of: (A) non-linear “reaction” models utilizing (discrete) reaction-diffusion equations; and (B) spatial transport problems on surfaces and in nanopores utilizing the relevant (continuum) diffusion or Fokker-Planck equations. Thus, there are some common themes in these studies, as they all involve partial differential equations or their discrete analogues which incorporate a description of diffusion-type processes. However, there are also some qualitative differences, as shall be discussed below.
Correction of the wavefront using the irradiance transport equation
García, M.; Granados, F.; Cornejo, A.
2008-07-01
The correction of the wavefront in optical systems implies the use of wavefront sensors, software, and auxiliary optical systems. We propose evaluated the wavefront using the fact that the wavefront and its intensity are related in the mathematical expression the irradiance transport equation (ITE)
From statistic mechanic outside equilibrium to transport equations
International Nuclear Information System (INIS)
Balian, R.
1995-01-01
This lecture notes give a synthetic view on the foundations of non-equilibrium statistical mechanics. The purpose is to establish the transport equations satisfied by the relevant variables, starting from the microscopic dynamics. The Liouville representation is introduced, and a projection associates with any density operator , for given choice of relevant observables, a reduced density operator. An exact integral-differential equation for the relevant variables is thereby derived. A short-memory approximation then yields the transport equations. A relevant entropy which characterizes the coarseness of the description is associated with each level of description. As an illustration, the classical gas, with its three levels of description and with the Chapman-Enskog method, is discussed. (author). 3 figs., 5 refs
Schulze, J.; Donkó, Z.; Lafleur, T.; Wilczek, S.; Brinkmann, R. P.
2018-05-01
Power absorption by electrons from the space- and time-dependent electric field represents the basic sustaining mechanism of all radio-frequency driven plasmas. This complex phenomenon has attracted significant attention. However, most theories and models are, so far, only able to account for part of the relevant mechanisms. The aim of this work is to present an in-depth analysis of the power absorption by electrons, via the use of a moment analysis of the Boltzmann equation without any ad-hoc assumptions. This analysis, for which the input quantities are taken from kinetic, particle based simulations, allows the identification of all physical mechanisms involved and an accurate quantification of their contributions. The perfect agreement between the sum of these contributions and the simulation results verifies the completeness of the model. We study the relative importance of these mechanisms as a function of pressure, with high spatial and temporal resolution, in an electropositive argon discharge. In contrast to some widely accepted previous models we find that high space- and time-dependent ambipolar electric fields outside the sheaths play a key role for electron power absorption. This ambipolar field is time-dependent within the RF period and temporally asymmetric, i.e., the sheath expansion is not a ‘mirror image’ of the sheath collapse. We demonstrate that this time-dependence is mainly caused by a time modulation of the electron temperature resulting from the energy transfer to electrons by the ambipolar field itself during sheath expansion. We provide a theoretical proof that this ambipolar electron power absorption would vanish completely, if the electron temperature was constant in time. This mechanism of electron power absorption is based on a time modulated electron temperature, markedly different from the Hard Wall Model, of key importance for energy transfer to electrons on time average and, thus, essential for the generation of capacitively
Altman, Michael D.; Bardhan, Jaydeep P.; White, Jacob K.; Tidor, Bruce
2009-01-01
We present a boundary-element method (BEM) implementation for accurately solving problems in biomolecular electrostatics using the linearized Poisson–Boltzmann equation. Motivating this implementation is the desire to create a solver capable of precisely describing the geometries and topologies prevalent in continuum models of biological molecules. This implementation is enabled by the synthesis of four technologies developed or implemented specifically for this work. First, molecular and accessible surfaces used to describe dielectric and ion-exclusion boundaries were discretized with curved boundary elements that faithfully reproduce molecular geometries. Second, we avoided explicitly forming the dense BEM matrices and instead solved the linear systems with a preconditioned iterative method (GMRES), using a matrix compression algorithm (FFTSVD) to accelerate matrix-vector multiplication. Third, robust numerical integration methods were employed to accurately evaluate singular and near-singular integrals over the curved boundary elements. Finally, we present a general boundary-integral approach capable of modeling an arbitrary number of embedded homogeneous dielectric regions with differing dielectric constants, possible salt treatment, and point charges. A comparison of the presented BEM implementation and standard finite-difference techniques demonstrates that for certain classes of electrostatic calculations, such as determining absolute electrostatic solvation and rigid-binding free energies, the improved convergence properties of the BEM approach can have a significant impact on computed energetics. We also demonstrate that the improved accuracy offered by the curved-element BEM is important when more sophisticated techniques, such as non-rigid-binding models, are used to compute the relative electrostatic effects of molecular modifications. In addition, we show that electrostatic calculations requiring multiple solves using the same molecular geometry
Boltzmann Oracle for Combinatorial Systems
Pivoteau , Carine; Salvy , Bruno; Soria , Michèle
2008-01-01
International audience; Boltzmann random generation applies to well-deﬁned systems of recursive combinatorial equations. It relies on oracles giving values of the enumeration generating series inside their disk of convergence. We show that the combinatorial systems translate into numerical iteration schemes that provide such oracles. In particular, we give a fast oracle based on Newton iteration.
A stochastic solution of the advective transport equation with uncertainty
International Nuclear Information System (INIS)
Williams, M.M.R.
1991-01-01
A model has been developed for calculating the transport of water-borne radionuclides through layers of porous materials, such as rock or clay. The model is based upon a purely advective transport equation, in which the fluid velocity is a random variable, thereby simulating dispersion in a more realistic manner than the ad hoc introduction of a dispersivity. In addition to a random velocity field, which is an observable physical phenomenon, allowance is made for uncertainty in our knowledge of the parameters which enter the equation, e.g. the retardation coefficient. This too, is assumed to be a random variable and contributes to the stochasticity of the resulting partial differential equation of transport. The stochastic differential equation can be solved analytically and then ensemble averages taken over the associated probability distribution of velocity and retardation coefficient. A method based upon a novel form of the central limit theorem of statistics is employed to obtain tractable solutions of a system consisting of many serial legs of varying properties. One interesting conclusion is that the total flux out of a medium is significantly underestimated by using the deterministic solution with an average transit time compared with that from the stochastically averaged solution. The theory is illustrated numerically for a number of physically relevant cases. (author) 8 figs., 4 tabs., 7 refs
International Nuclear Information System (INIS)
Papiez, L.; Moskvin, V.; Tulovsky, V.
2001-01-01
The process of angular-spatial evolution of multiple scattering of charged particles can be described by a special case of Boltzmann integro-differential equation called Lewis equation. The underlying stochastic process for this evolution is the compound Poisson process on the surface of the unit sphere. The significant portion of events that constitute compound Poisson process that describes multiple scattering have diffusional character. This property allows to analyze the process of angular-spatial evolution of multiple scattering of charged particles as combination of soft and hard collision processes and compute appropriately its transition densities. These computations provide a method of the approximate solution to the Lewis equation. (orig.)
1D equation for toroidal momentum transport in a tokamak
International Nuclear Information System (INIS)
Rozhansky, V A; Senichenkov, I Yu
2010-01-01
A 1D equation for toroidal momentum transport is derived for a given set of turbulent transport coefficients. The averaging is performed taking account of the poloidal variation of the toroidal fluxes and is based on the ambipolar condition of the zero net radial current through the flux surface. It is demonstrated that taking account of the Pfirsch-Schlueter fluxes leads to a torque in the toroidal direction which is proportional to the gradient of the ion temperature. This effect is new and has not been discussed before. The boundary condition at the separatrix, which is based on the results of the 2D simulations of the edge plasma, is formulated.
Sn approach applied to the solution of transport equation
International Nuclear Information System (INIS)
Lopes, J.P.
1973-09-01
In this work the origin of the Transport Theory is considered and the Transport Equation for the movement of the neutron in a system is established in its more general form, using the laws of nuclear physics. This equation is used as the starting point for development, under adequate assumptions, of simpler models that render the problem suitable for numerical solution. Representation of this model in different geometries is presented. The different processes of nuclear physics are introduced briefly and discussed. In addition, the boundary conditions for the different cases and a general procedure for the application of the Conservation Law are stated. The last chapter deals specifically with the S n method, its development, definitions and generalities. Computational schemes for obtaining the S n solution in spherical and cylindrical geometry, and convergence acceleration methods are also developed. (author)
Transport equations in an enzymatic glucose fuel cell
Jariwala, Soham; Krishnamurthy, Balaji
2018-01-01
A mathematical model is developed to study the effects of convective flux and operating temperature on the performance of an enzymatic glucose fuel cell with a membrane. The model assumes isothermal operating conditions and constant feed rate of glucose. The glucose fuel cell domain is divided into five sections, with governing equations describing transport characteristics in each region, namely - anode diffusion layer, anode catalyst layer (enzyme layer), membrane, cathode catalyst layer and cathode diffusion layer. The mass transport is assumed to be one-dimensional and the governing equations are solved numerically. The effects flow rate of glucose feed on the performance of the fuel cell are studied as it contributes significantly to the convective flux. The effects of operating temperature on the performance of a glucose fuel cell are also modeled. The cell performances are compared using cell polarization curves, which were found compliant with experimental observations.
Finite element approximation to the even-parity transport equation
International Nuclear Information System (INIS)
Lewis, E.E.
1981-01-01
This paper studies the finite element method, a procedure for reducing partial differential equations to sets of algebraic equations suitable for solution on a digital computer. The differential equation is cast into the form of a variational principle, the resulting domain then subdivided into finite elements. The dependent variable is then approximated by a simple polynomial, and these are linked across inter-element boundaries by continuity conditions. The finite element method is tailored to a variety of transport problems. Angular approximations are formulated, and the extent of ray effect mitigation is examined. Complex trial functions are introduced to enable the inclusion of buckling approximations. The ubiquitous curved interfaces of cell calculations, and coarse mesh methods are also treated. A concluding section discusses limitations of the work to date and suggests possible future directions
Numerical Integration of the Transport Equation For Infinite Homogeneous Media
Energy Technology Data Exchange (ETDEWEB)
Haakansson, Rune
1962-01-15
The transport equation for neutrons in infinite homogeneous media is solved by direct numerical integration. Accounts are taken to the anisotropy and the inelastic scattering. The integration has been performed by means of the trapezoidal rule and the length of the energy intervals are constant in lethargy scale. The machine used is a Ferranti Mercury computer. Results are given for water, heavy water, aluminium water mixture and iron-aluminium-water mixture.
New numerical method for solving the solute transport equation
International Nuclear Information System (INIS)
Ross, B.; Koplik, C.M.
1978-01-01
The solute transport equation can be solved numerically by approximating the water flow field by a network of stream tubes and using a Green's function solution within each stream tube. Compared to previous methods, this approach permits greater computational efficiency and easier representation of small discontinuities, and the results are easier to interpret physically. The method has been used to study hypothetical sites for disposal of high-level radioactive waste
Deterministic methods to solve the integral transport equation in neutronic
International Nuclear Information System (INIS)
Warin, X.
1993-11-01
We present a synthesis of the methods used to solve the integral transport equation in neutronic. This formulation is above all used to compute solutions in 2D in heterogeneous assemblies. Three kinds of methods are described: - the collision probability method; - the interface current method; - the current coupling collision probability method. These methods don't seem to be the most effective in 3D. (author). 9 figs
Complex eigenvalues for neutron transport equation with quadratically anisotropic scattering
International Nuclear Information System (INIS)
Sjoestrand, N.G.
1981-01-01
Complex eigenvalues for the monoenergetic neutron transport equation in the buckling approximation have been calculated for various combinations of linearly and quadratically anisotropic scattering. The results are discussed in terms of the time-dependent case. Tables are given of complex bucklings for real decay constants and of complex decay constants for real bucklings. The results fit nicely into the pattern of real and purely imaginary eigenvalues obtained earlier. (author)
Comparison of neutronic transport equation resolution nodal methods
International Nuclear Information System (INIS)
Zamonsky, O.M.; Gho, C.J.
1990-01-01
In this work, some transport equation resolution nodal methods are comparatively studied: the constant-constant (CC), linear-nodal (LN) and the constant-quadratic (CQ). A nodal scheme equivalent to finite differences has been used for its programming, permitting its inclusion in existing codes. Some bidimensional problems have been solved, showing that linear-nodal (LN) are, in general, obtained with accuracy in CPU shorter times. (Author) [es
Energy Technology Data Exchange (ETDEWEB)
Uchida, S.; Sugawara, H.; Ventzek, P.; Sakai, Y. [Hokkaido University, Sapporo (Japan)
1998-06-01
Xe/Ne plasmas are important for plasma display panels and VUV light sources. However, reactions between electrons and excited particles in the mixtures are so complicated that influence of the reactions on the plasma properties is not understood well. In this work, taking account of reactions through which electrons are produced, such as cumulative and Penning ionization, and of transition between excited levels, the electron and excited particle properties in Xe/Ne plasmas are calculated using the Boltzmann equation. The ionization coefficient and electron drift velocity agreed with experimental data. The influence of laser absorption in Xe/Ne plasmas on the plasma properties is also discussed. 25 refs., 15 figs.
International Nuclear Information System (INIS)
Savovic, S.; Djordjevich, A.; Ristic, G.
2012-01-01
A theoretical evaluation of the properties and processes affecting the radon transport from subsurface soil into buildings is presented in this work. The solution of the relevant transport equation is obtained using the explicit finite difference method (EFDM). Results are compared with analytical steady-state solution reported in the literature. Good agreement is found. It is shown that EFDM is effective and accurate for solving the equation that describes radon diffusion, advection and decay during its transport from subsurface to buildings, which is especially important when arbitrary initial and boundary conditions are required. (authors)
Transport parameter estimation from lymph measurements and the Patlak equation.
Watson, P D; Wolf, M B
1992-01-01
Two methods of estimating protein transport parameters for plasma-to-lymph transport data are presented. Both use IBM-compatible computers to obtain least-squares parameters for the solvent drag reflection coefficient and the permeability-surface area product using the Patlak equation. A matrix search approach is described, and the speed and convenience of this are compared with a commercially available gradient method. The results from both of these methods were different from those of a method reported by Reed, Townsley, and Taylor [Am. J. Physiol. 257 (Heart Circ. Physiol. 26): H1037-H1041, 1989]. It is shown that the Reed et al. method contains a systematic error. It is also shown that diffusion always plays an important role for transmembrane transport at the exit end of a membrane channel under all conditions of lymph flow rate and that the statement that diffusion becomes zero at high lymph flow rate depends on a mathematical definition of diffusion.
Poisson-Boltzmann-Nernst-Planck model
International Nuclear Information System (INIS)
Zheng Qiong; Wei Guowei
2011-01-01
The Poisson-Nernst-Planck (PNP) model is based on a mean-field approximation of ion interactions and continuum descriptions of concentration and electrostatic potential. It provides qualitative explanation and increasingly quantitative predictions of experimental measurements for the ion transport problems in many areas such as semiconductor devices, nanofluidic systems, and biological systems, despite many limitations. While the PNP model gives a good prediction of the ion transport phenomenon for chemical, physical, and biological systems, the number of equations to be solved and the number of diffusion coefficient profiles to be determined for the calculation directly depend on the number of ion species in the system, since each ion species corresponds to one Nernst-Planck equation and one position-dependent diffusion coefficient profile. In a complex system with multiple ion species, the PNP can be computationally expensive and parameter demanding, as experimental measurements of diffusion coefficient profiles are generally quite limited for most confined regions such as ion channels, nanostructures and nanopores. We propose an alternative model to reduce number of Nernst-Planck equations to be solved in complex chemical and biological systems with multiple ion species by substituting Nernst-Planck equations with Boltzmann distributions of ion concentrations. As such, we solve the coupled Poisson-Boltzmann and Nernst-Planck (PBNP) equations, instead of the PNP equations. The proposed PBNP equations are derived from a total energy functional by using the variational principle. We design a number of computational techniques, including the Dirichlet to Neumann mapping, the matched interface and boundary, and relaxation based iterative procedure, to ensure efficient solution of the proposed PBNP equations. Two protein molecules, cytochrome c551 and Gramicidin A, are employed to validate the proposed model under a wide range of bulk ion concentrations and external
Poisson-Boltzmann-Nernst-Planck model.
Zheng, Qiong; Wei, Guo-Wei
2011-05-21
The Poisson-Nernst-Planck (PNP) model is based on a mean-field approximation of ion interactions and continuum descriptions of concentration and electrostatic potential. It provides qualitative explanation and increasingly quantitative predictions of experimental measurements for the ion transport problems in many areas such as semiconductor devices, nanofluidic systems, and biological systems, despite many limitations. While the PNP model gives a good prediction of the ion transport phenomenon for chemical, physical, and biological systems, the number of equations to be solved and the number of diffusion coefficient profiles to be determined for the calculation directly depend on the number of ion species in the system, since each ion species corresponds to one Nernst-Planck equation and one position-dependent diffusion coefficient profile. In a complex system with multiple ion species, the PNP can be computationally expensive and parameter demanding, as experimental measurements of diffusion coefficient profiles are generally quite limited for most confined regions such as ion channels, nanostructures and nanopores. We propose an alternative model to reduce number of Nernst-Planck equations to be solved in complex chemical and biological systems with multiple ion species by substituting Nernst-Planck equations with Boltzmann distributions of ion concentrations. As such, we solve the coupled Poisson-Boltzmann and Nernst-Planck (PBNP) equations, instead of the PNP equations. The proposed PBNP equations are derived from a total energy functional by using the variational principle. We design a number of computational techniques, including the Dirichlet to Neumann mapping, the matched interface and boundary, and relaxation based iterative procedure, to ensure efficient solution of the proposed PBNP equations. Two protein molecules, cytochrome c551 and Gramicidin A, are employed to validate the proposed model under a wide range of bulk ion concentrations and external
International Nuclear Information System (INIS)
Rodriguez, B.D.A.; Vilhena, M.T.; Borges, V.; Hoff, G.
2008-01-01
In this paper we solve the Fokker-Planck (FP) equation, an alternative approach for the Boltzmann transport equation for charged particles in a rectangular domain. To construct the solution we begin applying the P N approximation in the angular variable and the Laplace Transform in the x-variable, thus obtaining a first order linear differential equation in y-variable, which the solution is straightforward. The angular flux of electrons and the parameters of the medium are used for the calculation of the energy deposited by the secondary electrons generated by Compton Effect. The remaining effects will not be taken into account. The results will be presented under absorbed energy form in several points of interested. We present numerical simulations and comparisons with results obtained by using Geant4 (version 8) program which applies the Monte Carlo's technique to low energy libraries for a two-dimensional problem assuming the screened Rutherford differential scattering cross-section
Quantum-mechanical transport equation for atomic systems.
Berman, P. R.
1972-01-01
A quantum-mechanical transport equation (QMTE) is derived which should be applicable to a wide range of problems involving the interaction of radiation with atoms or molecules which are also subject to collisions with perturber atoms. The equation follows the time evolution of the macroscopic atomic density matrix elements of atoms located at classical position R and moving with classical velocity v. It is quantum mechanical in the sense that all collision kernels or rates which appear have been obtained from a quantum-mechanical theory and, as such, properly take into account the energy-level variations and velocity changes of the active (emitting or absorbing) atom produced in collisions with perturber atoms. The present formulation is better suited to problems involving high-intensity external fields, such as those encountered in laser physics.
Approximate solution to neutron transport equation with linear anisotropic scattering
International Nuclear Information System (INIS)
Coppa, G.; Ravetto, P.; Sumini, M.
1983-01-01
A method to obtain an approximate solution to the transport equation, when both sources and collisions show a linearly anisotropic behavior, is outlined and the possible implications for numerical calculations in applied neutronics as well as shielding evaluations are investigated. The form of the differential system of equations taken by the method is quite handy and looks simpler and more manageable than any other today available technique. To go deeper into the efficiency of the method, some typical calculations concerning critical dimension of multiplying systems are then performed and the results are compared with the ones coming from the classical Ssub(N) approximations. The outcome of such calculations leads us to think of interesting developments of the method which could be quite useful in alternative to other today widespread approximate procedures, for any geometry, but especially for curved ones. (author)
Discontinuous nodal schemes applied to the bidimensional neutron transport equation
International Nuclear Information System (INIS)
Delfin L, A.; Valle G, E. Del; Hennart B, J.P.
1996-01-01
In this paper several strong discontinuous nodal schemes are described, starting from the one that has only two interpolation parameters per cell to the one having ten. Their application to the spatial discretization of the neutron transport equation in X-Y geometry is also described, giving, for each one of the nodal schemes, the approximation for the angular neutron flux that includes the set of interpolation parameters and the corresponding polynomial space. Numerical results were obtained for several test problems presenting here the problem with the highest degree of difficulty and their comparison with published results 1,2 . (Author)
Energy Technology Data Exchange (ETDEWEB)
Bal, G.
1995-07-01
To achieve whole core calculations of the neutron transport equation, we have to follow this 2 step method: space and energy homogenization of the assemblies; resolution of the homogenized equation on the whole core. However, this is no more valid when accidents occur (for instance depressurization causing locally strong heterogeneous media). One solution consists then in coupling two kinds of resolutions: a fine computation on the damaged cell (fine mesh, high number of energy groups) coupled with a coarse one everywhere else. We only deal here with steady state solutions (which already live in 6D spaces). We present here two such methods: The coupling by transmission of homogenized sections and the coupling by transmission of boundary conditions. To understand what this coupling is, we first restrict ourselves to 1D with respect to space in one energy group. The first two chapters deal with a recall of basic properties of the neutron transport equation. We give at chapter 3 some indications of the behaviour of the flux with respect to the cross sections. We present at chapter 4 some couplings and give some properties. Chapter 5 is devoted to a presentation of some numerical applications. (author). 9 refs., 7 figs.
Energy Technology Data Exchange (ETDEWEB)
Li, M
1998-08-01
In this thesis, two methods for solving the multigroup Boltzmann equation have been studied: the interface-current method and the Monte Carlo method. A new version of interface-current (IC) method has been develop in the TDT code at SERMA, where the currents of interface are represented by piecewise constant functions in the solid angle space. The convergence of this method to the collision probability (CP) method has been tested. Since the tracking technique is used for both the IC and CP methods, it is necessary to normalize he collision probabilities obtained by this technique. Several methods for this object have been studied and implemented in our code, we have compared their performances and chosen the best one as the standard choice. The transfer matrix treatment has been a long-standing difficulty for the multigroup Monte Carlo method: when the cross-sections are converted into multigroup form, important negative parts will appear in the angular transfer laws represented by low-order Legendre polynomials. Several methods based on the preservation of the first moments, such as the discrete angles methods and the equally-probable step function method, have been studied and implemented in the TRIMARAN-II code. Since none of these codes has been satisfactory, a new method, the non equally-probably step function method, has been proposed and realized in our code. The comparisons for these methods have been done in several aspects: the preservation of the moments required, the calculation of a criticality problem and the calculation of a neutron-transfer in water problem. The results have showed that the new method is the best one in all these comparisons, and we have proposed that it should be a standard choice for the multigroup transfer matrix. (author) 76 refs.
Lattice Boltzmann approach for complex nonequilibrium flows.
Montessori, A; Prestininzi, P; La Rocca, M; Succi, S
2015-10-01
We present a lattice Boltzmann realization of Grad's extended hydrodynamic approach to nonequilibrium flows. This is achieved by using higher-order isotropic lattices coupled with a higher-order regularization procedure. The method is assessed for flow across parallel plates and three-dimensional flows in porous media, showing excellent agreement of the mass flow with analytical and numerical solutions of the Boltzmann equation across the full range of Knudsen numbers, from the hydrodynamic regime to ballistic motion.
Transport methods: general. 8. Formulation of Transport Equation in a Split Form
International Nuclear Information System (INIS)
Stancic, V.
2001-01-01
The singular eigenfunction expansion method has enabled the application of functional analysis methods in transport theory. However, when applying it, the users were discouraged, since in most problems, including slab problems, an extra problem has occurred. It appears necessary to solve the Fredholm integral equation in order to determine the expansion coefficients. There are several reasons for this difficulty. One reason might be the use of the full-range expansion techniques even in the regions where the function is singular. Such an example is the free boundary condition that requires the distribution to be equal to zero. Moreover, at μ = 0, the transport equation becomes an integral one. Both reasons motivated us to redefine the transport equation in a more natural way. Similar to scattering theory, here we define the flux distribution as a direct sum of forward- and backward-directed neutrons, e.g., μ ≥ 0 and μ < 0, respectively. As a result, the plane geometry transport equation is being split into coupled-pair equations. Further, using an appropriate transformation, this pair of equations reduces to a self-adjoint one having the same form as the known full-range single flux. It is interesting that all the methods of full-range theory are applicable here provided the flux as well as the transformed transport operator are two-dimensional matrices. Applying this to the slab problem, we find explicit expressions for reflected and transmitted particles caused by an arbitrary plane source. That is the news in this paper. Because of space constraints, only fundamentals of this approach will be presented here. We assume that the reader is familiar with this field; therefore, the applications are noted only at the end. (author)
Sugiyanto, S.; Hardyanto, W.; Marwoto, P.
2018-03-01
Transport phenomena are found in many problems in many engineering and industrial sectors. We analyzed a Lattice Boltzmann method with Two-Relaxation Time (LTRT) collision operators for simulation of pollutant moving through the medium as a two-dimensional (2D) transport problem in a rectangular region model. This model consists of a 2D rectangular region with 54 length (x), 27 width (y), and it has isotropic homogeneous medium. Initially, the concentration is zero and is distributed evenly throughout the region of interest. A concentration of 1 is maintained at 9 < y < 18, whereas the concentration of zero is maintained at 0 < y < 9 and 18 < y < 27. A specific discharge (Darcy velocity) of 1.006 is assumed. A diffusion coefficient of 0.8333 is distributed uniformly with a uniform porosity of 0.35. A computer program is written in MATLAB to compute the concentration of pollutant at any specified place and time. The program shows that LTRT solution with quadratic equilibrium distribution functions (EDFs) and relaxation time τa=1.0 are in good agreement result with other numerical solutions methods such as 3DLEWASTE (Hybrid Three-dimensional Lagrangian-Eulerian Finite Element Model of Waste Transport Through Saturated-Unsaturated Media) obtained by Yeh and 3DFEMWATER-LHS (Three-dimensional Finite Element Model of Water Flow Through Saturated-Unsaturated Media with Latin Hypercube Sampling) obtained by Hardyanto.
Modeling Blazar Spectra by Solving an Electron Transport Equation
Lewis, Tiffany; Finke, Justin; Becker, Peter A.
2018-01-01
Blazars are luminous active galaxies across the entire electromagnetic spectrum, but the spectral formation mechanisms, especially the particle acceleration, in these sources are not well understood. We develop a new theoretical model for simulating blazar spectra using a self-consistent electron number distribution. Specifically, we solve the particle transport equation considering shock acceleration, adiabatic expansion, stochastic acceleration due to MHD waves, Bohm diffusive particle escape, synchrotron radiation, and Compton radiation, where we implement the full Compton cross-section for seed photons from the accretion disk, the dust torus, and 26 individual broad lines. We used a modified Runge-Kutta method to solve the 2nd order equation, including development of a new mathematical method for normalizing stiff steady-state ordinary differential equations. We show that our self-consistent, transport-based blazar model can qualitatively fit the IR through Fermi g-ray data for 3C 279, with a single-zone, leptonic configuration. We use the solution for the electron distribution to calculate multi-wavelength SED spectra for 3C 279. We calculate the particle and magnetic field energy densities, which suggest that the emitting region is not always in equipartition (a common assumption), but sometimes matter dominated. The stratified broad line region (based on ratios in quasar reverberation mapping, and thus adding no free parameters) improves our estimate of the location of the emitting region, increasing it by ~5x. Our model provides a novel view into the physics at play in blazar jets, especially the relative strength of the shock and stochastic acceleration, where our model is well suited to distinguish between these processes, and we find that the latter tends to dominate.
International Nuclear Information System (INIS)
Merton, S. R.; Smedley-Stevenson, R. P.; Pain, C. C.; Buchan, A. G.; Eaton, M. D.
2009-01-01
This paper describes a new Non-Linear Discontinuous Petrov-Galerkin (NDPG) method and application to the one-speed Boltzmann Transport Equation (BTE) for space-time problems. The purpose of the method is to remove unwanted oscillations in the transport solution which occur in the vicinity of sharp flux gradients, while improving computational efficiency and numerical accuracy. This is achieved by applying artificial dissipation in the solution gradient direction, internal to an element using a novel finite element (FE) Riemann approach. The amount of dissipation added acts internal to each element. This is done using a gradient-informed scaling of the advection velocities in the stabilisation term. This makes the method in its most general form non-linear. The method is designed to be independent of angular expansion framework. This is demonstrated for the both discrete ordinates (S N ) and spherical harmonics (P N ) descriptions of the angular variable. Results show the scheme performs consistently well in demanding time dependent and multi-dimensional radiation transport problems. (authors)
International Nuclear Information System (INIS)
Verdu, G.; Capilla, M.; Talavera, C. F.; Ginestar, D.
2012-01-01
PL equations are classical high order approximations to the transport equations which are based on the expansion of the angular dependence of the angular neutron flux and the nuclear cross sections in terms of spherical harmonics. A nodal collocation method is used to discretize the PL equations associated with a neutron source transport problem. The performance of the method is tested solving two 1D problems with analytical solution for the transport equation and a classical 2D problem. (authors)
Energy Technology Data Exchange (ETDEWEB)
Verdu, G. [Departamento de Ingenieria Quimica Y Nuclear, Universitat Politecnica de Valencia, Cami de Vera, 14, 46022. Valencia (Spain); Capilla, M.; Talavera, C. F.; Ginestar, D. [Dept. of Nuclear Engineering, Departamento de Matematica Aplicada, Universitat Politecnica de Valencia, Cami de Vera, 14, 46022. Valencia (Spain)
2012-07-01
PL equations are classical high order approximations to the transport equations which are based on the expansion of the angular dependence of the angular neutron flux and the nuclear cross sections in terms of spherical harmonics. A nodal collocation method is used to discretize the PL equations associated with a neutron source transport problem. The performance of the method is tested solving two 1D problems with analytical solution for the transport equation and a classical 2D problem. (authors)
International Nuclear Information System (INIS)
Cartier, J.
2006-04-01
This thesis focuses on mathematical analysis, numerical resolution and modelling of the transport equations. First of all, we deal with numerical approximation of the solution of the transport equations by using a mixed-hybrid scheme. We derive and study a mixed formulation of the transport equation, then we analyse the related variational problem and present the discretization and the main properties of the scheme. We particularly pay attention to the behavior of the scheme and we show its efficiency in the diffusion limit (when the mean free path is small in comparison with the characteristic length of the physical domain). We present academical benchmarks in order to compare our scheme with other methods in many physical configurations and validate our method on analytical test cases. Unstructured and very distorted meshes are used to validate our scheme. The second part of this thesis deals with two transport problems. The first one is devoted to the study of diffusion due to boundary conditions in a transport problem between two plane plates. The second one consists in modelling and simulating radiative transfer phenomenon in case of the industrial context of inertial confinement fusion. (author)
On standard forms for transport equations and fluxes: Part 2
International Nuclear Information System (INIS)
Ross, D.W.
1990-03-01
Quasilinear expressions for anomalous particle and energy fluxes arising from electrostatic plasma turbulence in a tokamak are reviewed yet again. Further clarifications are made, and the position taken in a previous report is modified. There, the total energy flux, Q j , and the conductive heat flux, q j , were correctly defined, and the anomalous Q j was correctly calculated. It was shown that the anomalous energy transport can be correctly described by ∇·Q* j , where Q* j = 3/5 Q j , with all remaining source terms such as left-angle p j ∇·Vj} cancelling. Here, a revised discussion is given of the identification of the anomalous conductive flux, q j , in which the distinction between Q j and Q* j is reconsidered. It is shown that there is more than one consistent way to define q j . Transport calculations involving only theoretical electrostatic turbulent fluxes are unaffected by these distinctions since Q j or Q* j , rather than q j , is the quantity naturally calculated in the theory. However, an ambiguity remains in experimental transport analysis if the measured particle flux Γ j = n j V j is to be used in the energy equation. This is because we cannot be sure how properly to treat the source terms p j ∇·V j or { p j ∇·V j }. 17 refs
Multigroup neutron transport equation in the diffusion and P{sub 1} approximation
Energy Technology Data Exchange (ETDEWEB)
Obradovic, D [Boris Kidric Institute of nuclear sciences Vinca, Belgrade (Yugoslavia)
1970-07-01
Investigations of the properties of the multigroup transport operator, width and without delayed neutrons in the diffusion and P{sub 1} approximation, is performed using Keldis's theory of operator families as well as a technique . recently used for investigations into the properties of the general linearized Boltzmann operator. It is shown that in the case without delayed neutrons, multigroup transport operator in the diffusion and P{sub 1} approximation possesses a complete set of generalized eigenvectors. A formal solution to the initial value problem is also given. (author)
Numerical method for solving integral equations of neutron transport. II
International Nuclear Information System (INIS)
Loyalka, S.K.; Tsai, R.W.
1975-01-01
In a recent paper it was pointed out that the weakly singular integral equations of neutron transport can be quite conveniently solved by a method based on subtraction of singularity. This previous paper was devoted entirely to the consideration of simple one-dimensional isotropic-scattering and one-group problems. The present paper constitutes interesting extensions of the previous work in that in addition to a typical two-group anisotropic-scattering albedo problem in the slab geometry, the method is also applied to an isotropic-scattering problem in the x-y geometry. These results are compared with discrete S/sub N/ (ANISN or TWOTRAN-II) results, and for the problems considered here, the proposed method is found to be quite effective. Thus, the method appears to hold considerable potential for future applications. (auth)
On the Solution of the Neutron Transport Equation
Energy Technology Data Exchange (ETDEWEB)
Depken, S
1962-12-15
The neutron transport equation has occupied the attention of many authors since Placzek, Wick and others made their first attempts to solve it, Even in the simple case of energy independent cross-sections, and disregarding the motion of the scattering nucleons, it is difficult to find a solution in an analytical form which is easily surveyable and fitted for numerical calculations. In Part I of this paper some new viewpoints will be introduced which enable the solution to be presented in its simplest possible form. Part II is devoted to an investigation of some functions introduced in Part I. In Part III the results are applied to the case of large energy lethargy, and the validity of derived formulas is discussed.
International Nuclear Information System (INIS)
Allen, P.B.; Chakraborty, B.
1981-01-01
Metals with high resistivity (approx.100 μΩ cm) seem to show weaker variation of resistivity (as a function of temperature and perhaps also static disorder) than predicted by semiclassical (Bloch-Boltzmann) theory (SBT). We argue that the effect is not closely related to Anderson localization, and therefore does not necessarily signify a failure of the independent collision approximation. Instead we propose a failure of the semiclassical acceleration and conduction approximations. A generalization of Boltzmann theory is made which includes quantum (interband) acceleration and conduction, as well as a complete treatment of interband-collision effects (within the independent-collision approximation). The interband terms enhance short-time response to E fields (because the theory satisfies the exact f-sum rule instead of the semiclassical approximation to it). This suggests that the additional conductivity, as expressed phenomenologically by the shunt resistor model, is explained by interband effects. The scattering operator is complex, its imaginary parts being related to energy-band renormalization caused by the disorder. Charge conservation is respected and thermal equilibrium is restored by the collision operator. The theory is formally solved for the leading corrections to SBT, which have the form of a shunt resistor model. At infrared frequencies, the conductivity mostly obeys the Drude law sigma(ω)approx.sigma(0)(1-iωtau) -1 , except for one term which goes as (1-iωtau) -2
All orders Boltzmann collision term from the multiple scattering expansion of the self-energy
International Nuclear Information System (INIS)
Fillion-Gourdeau, F.; Gagnon, J.-S.; Jeon, S.
2007-01-01
We summarize our main findings in deriving the Boltzmann collision term from the Kadanoff-Baym relativistic transport equation and the multiple scattering expansion of the self-energy within a quasi-particle approximation. Our collision term is valid to all orders in perturbation theory and contains processes with any number of participating particles. This work completes a program initiated by Carrington and Mrowczynski and developed further by present authors and Weinstock in recent literature
Generalized fluid equations for parallel transport in collisional to weakly collisional plasmas
International Nuclear Information System (INIS)
Zawaideh, E.S.
1985-01-01
A new set of two-fluid equations which are valid from collisional to weakly collisional limits are derived. Starting from gyrokinetic equations in flux coordinates with no zeroth order drifts, a set of moment equations describing plasma transport along the field lines of a space and time dependent magnetic field are derived. No restriction on the anisotropy of the ion distribution function is imposed. In the highly collisional limit, these equations reduce to those of Braginskii while in the weakly collisional limit, they are similar to the double adiabatic or Chew, Goldberger, and Low (CGL) equations. The new transport equations are used to study the effects of collisionality, magnetic field structure, and plasma anisotropy on plasma parallel transport. Numerical examples comparing these equations with conventional transport equations show that the conventional equations may contain large errors near the sound speed (M approx. = 1). It is also found that plasma anisotropy, which is not included in the conventional equations, is a critical parameter in determining plasma transport in varying magnetic field. The new transport equations are also used to study axial confinement in multiple mirror devices from the strongly to weakly collisional regime. A new ion conduction model was worked out to extend the regime of validity of the transport equations to the low density multiple mirror regime
International Nuclear Information System (INIS)
Fevotte, F.
2008-01-01
At the various stages of a nuclear reactor's life, numerous studies are needed to guaranty the safety and efficiency of the design, analyse the fuel cycle, prepare the dismantlement, and so on. Due to the extreme difficulty to take extensive and accurate measurements in the reactor core, most of these studies are numerical simulations. The complete numerical simulation of a nuclear reactor involves many types of physics: neutronics, thermal hydraulics, materials, control engineering, Among these, the neutron transport simulation is one of the fundamental steps, since it allows computation - among other things - of various fundamental values such as the power density (used in thermal hydraulics computations) or fuel burn-up. The neutron transport simulation is based on the Boltzmann equation, which models the neutron population inside the reactor core. Among the various methods allowing its numerical solution, much interest has been devoted in the past few years to the Method of Characteristics in unstructured meshes (MOC), since it offers a good accuracy and operates in complicated geometries. The aim of this work is to propose improvements of the calculation scheme bound on the two dimensions MOC, in order to decrease the needed resources number. (A.L.B.)
International Nuclear Information System (INIS)
Chepe P, M.; Xolocostli M, J. V.; Gomez T, A. M.; Del Valle G, E.
2016-09-01
Due to the current computing power, the deterministic codes for analyzing nuclear reactors that have been used for several years are becoming more relevant, since much more precise solution techniques can be used; the last century would have been very difficult, since memory and processor capacities were very limited or had high prices on the components. In this work we analyze the effect of the anisotropic dispersion of the effective dispersion section, compared to the isotropic dispersion. The anisotropy implementation was carried out in the AZTRAN transport code, which is part of the AZTLAN platform for nuclear reactors analysis (in development). The AZTRAN code solves the Boltzmann transport equation in one, two and three dimensions at steady state, using the multi-group technique for energy discretization, the RTN-0 nodal method in spatial discretization and for angular discretization the discrete ordinates without considering anisotropy originally. The effect of the anisotropy dispersion on the effective multiplication factor and the axial and radial power on a fuel assembly BWR type are analyzed. (Author)
Suzuki, Hideyuki; Imura, Jun-ichi; Horio, Yoshihiko; Aihara, Kazuyuki
2013-01-01
The chaotic Boltzmann machine proposed in this paper is a chaotic pseudo-billiard system that works as a Boltzmann machine. Chaotic Boltzmann machines are shown numerically to have computing abilities comparable to conventional (stochastic) Boltzmann machines. Since no randomness is required, efficient hardware implementation is expected. Moreover, the ferromagnetic phase transition of the Ising model is shown to be characterised by the largest Lyapunov exponent of the proposed system. In general, a method to relate probabilistic models to nonlinear dynamics by derandomising Gibbs sampling is presented. PMID:23558425
International Nuclear Information System (INIS)
Berthoud, Georges; Ducros, Gerard; Feron, Damien; Guerin, Yannick; Latge, Christian; Limoge, Yves; Santarini, Gerard; Seiler, Jean-Marie; Vernaz, Etienne; Coste-Delclaux, Mireille; M'Backe Diop, Cheikh; Nicolas, Anne; Andrieux, Catherine; Archier, Pascal; Baudron, Anne-Marie; Bernard, David; Biaise, Patrick; Blanc-Tranchant, Patrick; Bonin, Bernard; Bouland, Olivier; Bourganel, Stephane; Calvin, Christophe; Chiron, Maurice; Damian, Frederic; Dumonteil, Eric; Fausser, Clement; Fougeras, Philippe; Gabriel, Franck; Gagnier, Emmanuel; Gallo, Daniele; Hudelot, Jean-Pascal; Hugot, Francois-Xavier; Dat Huynh, Tan; Jouanne, Cedric; Lautard, Jean-Jacques; Laye, Frederic; Lee, Yi-Kang; Lenain, Richard; Leray, Sylvie; Litaize, Olivier; Magnaud, Christine; Malvagi, Fausto; Mijuin, Dominique; Mounier, Claude; Naury, Sylvie; Nicolas, Anne; Noguere, Gilles; Palau, Jean-Marc; Le Pallec, Jean-Charles; Peneliau, Yannick; Petit, Odile; Poinot-Salanon, Christine; Raepsaet, Xavier; Reuss, Paul; Richebois, Edwige; Roque, Benedicte; Royer, Eric; Saint-Jean, Cyrille de; Santamarina, Alain; Serot, Olivier; Soldevila, Michel; Tommasi, Jean; Trama, Jean-Christophe; Tsilanizara, Aime; Behar, Christophe; Provitina, Olivier; Lecomte, Michael; Forestier, Alain; Bender, Alexandra; Parisot, Jean-Francois; Finot, Pierre
2013-10-01
This bibliographical note presents a reference book which addresses the study of neutron transport in matter, the study of conditions for a chain reaction and the study of modifications of matter composition due to nuclear reactions. This book presents the main nuclear data, their measurement, assessment and processing, and the spallation. It proposes an overview of methods applied for the study of neutron transport: basic equations and their derived forms, deterministic methods and Monte Carlo method of resolution of the Boltzmann equation, methods of resolution of generalized Bateman equations, methods of time resolution of space kinetics coupled equations. It presents the main calculation codes, discusses the qualification and experimental aspects, and gives an overview of neutron transport applications: neutron transport calculation of reactors, neutron transport coupled with other disciplines, physics of fuel cycle, criticality
A Photon Free Method to Solve Radiation Transport Equations
International Nuclear Information System (INIS)
Chang, B
2006-01-01
The multi-group discrete-ordinate equations of radiation transfer is solved for the first time by Newton's method. It is a photon free method because the photon variables are eliminated from the radiation equations to yield a N group XN direction smaller but equivalent system of equations. The smaller set of equations can be solved more efficiently than the original set of equations. Newton's method is more stable than the Semi-implicit Linear method currently used by conventional radiation codes
Basic equations of interfacial area transport in gas-liquid two-phase flow
International Nuclear Information System (INIS)
Kataoka, I.; Yoshida, K.; Naitoh, M.; Okada, H.; Morii, T.
2011-01-01
The rigorous and consistent formulations of basic equations of interfacial area transport were derived using correlation functions of characteristic function of each phase and velocities of each phase. Turbulent transport term of interfacial area concentration was consistently derived and related to the difference between interfacial velocity and averaged velocity of each phase. Constitutive equations of turbulent transport terms of interfacial area concentration were proposed for bubbly flow. New transport model and constitutive equations were developed for churn flow. These models and constitutive equations are validated by experimental data of radial distributions of interfacial area concentration in bubbly and churn flow. (author)
Approximate solution of the transport equation by methods of Galerkin type
International Nuclear Information System (INIS)
Pitkaranta, J.
1977-01-01
Questions of the existence, uniqueness, and convergence of approximate solutions of transport equations by methods of the Galerkin type (where trial and weighting functions are the same) are discussed. The results presented do not exclude the infinite-dimensional case. Two strategies can be followed in the variational approximation of the transport operator: one proceeds from the original form of the transport equation, while the other is based on the partially symmetrized equation. Both principles are discussed in this paper. The transport equation is assumed in a discretized multigroup form
Sman, van der R.G.M.
2006-01-01
In the special case of relaxation parameter = 1 lattice Boltzmann schemes for (convection) diffusion and fluid flow are equivalent to finite difference/volume (FD) schemes, and are thus coined finite Boltzmann (FB) schemes. We show that the equivalence is inherent to the homology of the
Skrdla, Peter J; Robertson, Rebecca T
2005-06-02
Many solid-state reactions and phase transformations performed under isothermal conditions give rise to asymmetric, sigmoidally shaped conversion-time (x-t) profiles. The mathematical treatment of such curves, as well as their physical interpretation, is often challenging. In this work, the functional form of a Maxwell-Boltzmann (M-B) distribution is used to describe the distribution of activation energies for the reagent solids, which, when coupled with an integrated first-order rate expression, yields a novel semiempirical equation that may offer better success in the modeling of solid-state kinetics. In this approach, the Arrhenius equation is used to relate the distribution of activation energies to a corresponding distribution of rate constants for the individual molecules in the reagent solids. This distribution of molecular rate constants is then correlated to the (observable) reaction time in the derivation of the model equation. In addition to providing a versatile treatment for asymmetric, sigmoidal reaction curves, another key advantage of our equation over other models is that the start time of conversion is uniquely defined at t = 0. We demonstrate the ability of our simple, two-parameter equation to successfully model the experimental x-t data for the polymorphic transformation of a pharmaceutical compound under crystallization slurry (i.e., heterogeneous) conditions. Additionally, we use a modification of this equation to model the kinetics of a historically significant, homogeneous solid-state reaction: the thermal decomposition of AgMnO4 crystals. The potential broad applicability of our statistical (i.e., dispersive) kinetic approach makes it a potentially attractive alternative to existing models/approaches.
International Nuclear Information System (INIS)
Chatterjee, Kausik; Roadcap, John R.; Singh, Surendra
2014-01-01
The objective of this paper is the exposition of a recently-developed, novel Green's function Monte Carlo (GFMC) algorithm for the solution of nonlinear partial differential equations and its application to the modeling of the plasma sheath region around a cylindrical conducting object, carrying a potential and moving at low speeds through an otherwise neutral medium. The plasma sheath is modeled in equilibrium through the GFMC solution of the nonlinear Poisson–Boltzmann (NPB) equation. The traditional Monte Carlo based approaches for the solution of nonlinear equations are iterative in nature, involving branching stochastic processes which are used to calculate linear functionals of the solution of nonlinear integral equations. Over the last several years, one of the authors of this paper, K. Chatterjee has been developing a philosophically-different approach, where the linearization of the equation of interest is not required and hence there is no need for iteration and the simulation of branching processes. Instead, an approximate expression for the Green's function is obtained using perturbation theory, which is used to formulate the random walk equations within the problem sub-domains where the random walker makes its walks. However, as a trade-off, the dimensions of these sub-domains have to be restricted by the limitations imposed by perturbation theory. The greatest advantage of this approach is the ease and simplicity of parallelization stemming from the lack of the need for iteration, as a result of which the parallelization procedure is identical to the parallelization procedure for the GFMC solution of a linear problem. The application area of interest is in the modeling of the communication breakdown problem during a space vehicle's re-entry into the atmosphere. However, additional application areas are being explored in the modeling of electromagnetic propagation through the atmosphere/ionosphere in UHF/GPS applications
Energy Technology Data Exchange (ETDEWEB)
Chatterjee, Kausik, E-mail: kausik.chatterjee@aggiemail.usu.edu [Strategic and Military Space Division, Space Dynamics Laboratory, North Logan, UT 84341 (United States); Center for Atmospheric and Space Sciences, Utah State University, Logan, UT 84322 (United States); Roadcap, John R., E-mail: john.roadcap@us.af.mil [Air Force Research Laboratory, Kirtland AFB, NM 87117 (United States); Singh, Surendra, E-mail: surendra-singh@utulsa.edu [Department of Electrical Engineering, The University of Tulsa, Tulsa, OK 74104 (United States)
2014-11-01
The objective of this paper is the exposition of a recently-developed, novel Green's function Monte Carlo (GFMC) algorithm for the solution of nonlinear partial differential equations and its application to the modeling of the plasma sheath region around a cylindrical conducting object, carrying a potential and moving at low speeds through an otherwise neutral medium. The plasma sheath is modeled in equilibrium through the GFMC solution of the nonlinear Poisson–Boltzmann (NPB) equation. The traditional Monte Carlo based approaches for the solution of nonlinear equations are iterative in nature, involving branching stochastic processes which are used to calculate linear functionals of the solution of nonlinear integral equations. Over the last several years, one of the authors of this paper, K. Chatterjee has been developing a philosophically-different approach, where the linearization of the equation of interest is not required and hence there is no need for iteration and the simulation of branching processes. Instead, an approximate expression for the Green's function is obtained using perturbation theory, which is used to formulate the random walk equations within the problem sub-domains where the random walker makes its walks. However, as a trade-off, the dimensions of these sub-domains have to be restricted by the limitations imposed by perturbation theory. The greatest advantage of this approach is the ease and simplicity of parallelization stemming from the lack of the need for iteration, as a result of which the parallelization procedure is identical to the parallelization procedure for the GFMC solution of a linear problem. The application area of interest is in the modeling of the communication breakdown problem during a space vehicle's re-entry into the atmosphere. However, additional application areas are being explored in the modeling of electromagnetic propagation through the atmosphere/ionosphere in UHF/GPS applications.
Parallel computing for homogeneous diffusion and transport equations in neutronics
International Nuclear Information System (INIS)
Pinchedez, K.
1999-06-01
Parallel computing meets the ever-increasing requirements for neutronic computer code speed and accuracy. In this work, two different approaches have been considered. We first parallelized the sequential algorithm used by the neutronics code CRONOS developed at the French Atomic Energy Commission. The algorithm computes the dominant eigenvalue associated with PN simplified transport equations by a mixed finite element method. Several parallel algorithms have been developed on distributed memory machines. The performances of the parallel algorithms have been studied experimentally by implementation on a T3D Cray and theoretically by complexity models. A comparison of various parallel algorithms has confirmed the chosen implementations. We next applied a domain sub-division technique to the two-group diffusion Eigen problem. In the modal synthesis-based method, the global spectrum is determined from the partial spectra associated with sub-domains. Then the Eigen problem is expanded on a family composed, on the one hand, from eigenfunctions associated with the sub-domains and, on the other hand, from functions corresponding to the contribution from the interface between the sub-domains. For a 2-D homogeneous core, this modal method has been validated and its accuracy has been measured. (author)
Bisetti, Fabrizio; El Morsli, Mbark
2014-01-01
The effects of an electric field on the collision rates, energy exchanges and transport properties of electrons in premixed flames are investigated via solutions to the Boltzmann kinetic equation. The case of high electric field strength, which
Neutron wave reflexions in interface media with transport equation P1 approximation
International Nuclear Information System (INIS)
Oliveira Vellozo, S. de.
1977-01-01
The propagation of neutron waves in non multiplying media is investigated employing the Telegrapher's equation obtained from the P 1 approximation of the time, space and energy dependent Boltzmann equation. Solution of the problem of propagation of sinusoidally modulated source incident on one face of the medium is obtained by analysing the Fourier component of a pulsed source introduced, for the corresponding frequency. The amplitude and the phase of the flux are computed as a function of frequency in media consisting of one, two and three regions in order to study the effects of reflection at the interfaces. The results are compared with those from the Diffusion approximation obtained by neglecting the term involving the second order time derivative. (author)
Variational formulation and projectional methods for the second order transport equation
International Nuclear Information System (INIS)
Borysiewicz, M.; Stankiewicz, R.
1979-01-01
Herein the variational problem for a second-order boundary value problem for the neutron transport equation is formulated. The projectional methods solving the problem are examined. The approach is compared with that based on the original untransformed form of the neutron transport equation
Energy Technology Data Exchange (ETDEWEB)
Wilcox, T. P.
1973-09-20
The code ANISN-L solves the one-dimensional, multigroup, time-independent Boltzmann transport equation by the method of discrete ordinates. In problems involving a fissionable system, it can calculate the system multiplication or alpha. In such cases, it is also capable of determining isotopic concentrations, radii, zone widths, or buckling in order to achieve a given multiplication or alpha. The code may also calculate fluxes caused by a specified fixed source. Neutron, gamma, and coupled neutron--gamma problems may be solved in either the forward or adjoint (backward) modes. Cross sections describing upscatter, as well as the usual downscatter, may be employed. This report describes the use of ANISN-L; this is a revised version of ANISN which handles both large and small problems efficiently on CDC-7600 computers. (RWR)
Cable Connected Spinning Spacecraft, 1. the Canonical Equations, 2. Urban Mass Transportation, 3
Sitchin, A.
1972-01-01
Work on the dynamics of cable-connected spinning spacecraft was completed by formulating the equations of motion by both the canonical equations and Lagrange's equations and programming them for numerical solution on a digital computer. These energy-based formulations will permit future addition of the effect of cable mass. Comparative runs indicate that the canonical formulation requires less computer time. Available literature on urban mass transportation was surveyed. Areas of the private rapid transit concept of urban transportation are also studied.
Galilean-Invariant Lattice-Boltzmann Models with H Theorem
National Research Council Canada - National Science Library
Boghosian, Bruce
2003-01-01
The authors demonstrate that the requirement of Galilean invariance determines the choice of H function for a wide class of entropic lattice-Boltzmann models for the incompressible Navier-Stokes equations...
Limitations of Boltzmann's principle
International Nuclear Information System (INIS)
Lavenda, B.H.
1995-01-01
The usual form of Boltzmann's principle assures that maximum entropy, or entropy reduction, occurs with maximum probability, implying a unimodal distribution. Boltzmann's principle cannot be applied to nonunimodal distributions, like the arcsine law, because the entropy may be concave only over a limited portion of the interval. The method of subordination shows that the arcsine distribution corresponds to a process with a single degree of freedom, thereby confirming the invalidation of Boltzmann's principle. The fractalization of time leads to a new distribution in which arcsine and Cauchy distributions can coexist simultaneously for nonintegral degrees of freedom between √2 and 2
Tian, Zhiwei; Wang, Junye
2018-02-01
Dissolution and precipitation of rock matrix are one of the most important processes of geological CO2 sequestration in reservoirs. They change connections of pore channels and properties of matrix, such as bulk density, microporosity and hydraulic conductivity. This study builds on a recently developed multi-layer model to account for dynamic changes of microporous matrix that can accurately predict variations in hydraulic properties and reaction rates due to dynamic changes in matrix porosity and pore connectivity. We apply the model to simulate the dissolution and precipitation processes of rock matrix in heterogeneous porous media to quantify (1) the effect of the reaction rate on dissolution and matrix porosity, (2) the effect of microporous matrix diffusion on the overall effective diffusion and (3) the effect of heterogeneity on hydraulic conductivity. The results show the CO2 storage influenced by factors including the matrix porosity change, reaction front movement, velocity and initial properties. We also simulated dissolution-induced permeability enhancement as well as effects of initial porosity heterogeneity. The matrix with very low permeability, which can be unresolved on X-ray CT, do contribute to flow patterns and dispersion. The concentration of reactant H+ increases along the main fracture paths where the flow velocity increases. The product Ca++ shows the inversed distribution pattern against the H+ concentration. This demonstrates the capability of this model to investigate the complex CO2 reactive transport in real 3D heterogeneous porous media.
Forms of Approximate Radiation Transport
Brunner, G
2002-01-01
Photon radiation transport is described by the Boltzmann equation. Because this equation is difficult to solve, many different approximate forms have been implemented in computer codes. Several of the most common approximations are reviewed, and test problems illustrate the characteristics of each of the approximations. This document is designed as a tutorial so that code users can make an educated choice about which form of approximate radiation transport to use for their particular simulation.
International Nuclear Information System (INIS)
Zhao, J.M.; Tan, J.Y.; Liu, L.H.
2012-01-01
Light transport in graded index media follows a curved trajectory determined by Fermat's principle. Besides the effect of variation of the refractive index on the transport of radiative intensity, the curved ray trajectory will induce geometrical effects on the transport of polarization ellipse. This paper presents a complete derivation of vector radiative transfer equation for polarized radiation transport in absorption, emission and scattering graded index media. The derivation is based on the analysis of the conserved quantities for polarized light transport along curved trajectory and a novel approach. The obtained transfer equation can be considered as a generalization of the classic vector radiative transfer equation that is only valid for uniform refractive index media. Several variant forms of the transport equation are also presented, which include the form for Stokes parameters defined with a fixed reference and the Eulerian forms in the ray coordinate and in several common orthogonal coordinate systems.
Solution and study of nodal neutron transport equation applying the LTSN-DiagExp method
International Nuclear Information System (INIS)
Hauser, Eliete Biasotto; Pazos, Ruben Panta; Vilhena, Marco Tullio de; Barros, Ricardo Carvalho de
2003-01-01
In this paper we report advances about the three-dimensional nodal discrete-ordinates approximations of neutron transport equation for Cartesian geometry. We use the combined collocation method of the angular variables and nodal approach for the spatial variables. By nodal approach we mean the iterated transverse integration of the S N equations. This procedure leads to the set of one-dimensional averages angular fluxes in each spatial variable. The resulting system of equations is solved with the LTS N method, first applying the Laplace transform to the set of the nodal S N equations and then obtained the solution by symbolic computation. We include the LTS N method by diagonalization to solve the nodal neutron transport equation and then we outline the convergence of these nodal-LTS N approximations with the help of a norm associated to the quadrature formula used to approximate the integral term of the neutron transport equation. (author)
International Nuclear Information System (INIS)
Edenstrasser, J.W.
1995-01-01
A multiple time-scale derivative expansion scheme is applied to the dimensionless Fokker--Planck equation and to Maxwell's equations, where the parameter range of a typical fusion plasma was assumed. Within kinetic theory, the four time scales considered are those of Larmor gyration, particle transit, collisions, and classical transport. The corresponding magnetohydrodynamic (MHD) time scales are those of ion Larmor gyration, Alfven, MHD collision, and resistive diffusion. The solution of the zeroth-order equations results in the force-free equilibria and ideal Ohm's law. The solution of the first-order equations leads under the assumption of a weak collisional plasma to the ideal MHD equations. On the MHD-collision time scale, not only the full set of the MHD transport equations is obtained, but also turbulent terms, where the related transport quantities are one order in the expansion parameter larger than those of classical transport. Finally, at the resistive diffusion time scale the known transport equations are arrived at including, however, also turbulent contributions. copyright 1995 American Institute of Physics
Sun, Shuyu; Salama, Amgad; El-Amin, Mohamed
2012-01-01
A new technique for the numerical solution of the partial differential equations governing transport phenomena in porous media is introduced. In this technique, the governing equations as depicted from the physics of the problem are used without extra manipulations. In other words, there is no need to reduce the number of governing equations by some sort of mathematical manipulations. This technique enables the separation of the physics part of the problem and the solver part, which makes coding more robust and could be used in several other applications with little or no modifications (e.g., multi-phase flow in porous media). In this method, one abandons the need to construct the coefficient matrix for the pressure equation. Alternatively, the coefficients are automatically generated within the solver routine. We show examples of using this technique to solving several flow problems in porous media.
Sun, Shuyu
2012-06-02
A new technique for the numerical solution of the partial differential equations governing transport phenomena in porous media is introduced. In this technique, the governing equations as depicted from the physics of the problem are used without extra manipulations. In other words, there is no need to reduce the number of governing equations by some sort of mathematical manipulations. This technique enables the separation of the physics part of the problem and the solver part, which makes coding more robust and could be used in several other applications with little or no modifications (e.g., multi-phase flow in porous media). In this method, one abandons the need to construct the coefficient matrix for the pressure equation. Alternatively, the coefficients are automatically generated within the solver routine. We show examples of using this technique to solving several flow problems in porous media.
Boltzmann hierarchy for interacting neutrinos I: formalism
International Nuclear Information System (INIS)
Oldengott, Isabel M.; Rampf, Cornelius; Wong, Yvonne Y.Y.
2015-01-01
Starting from the collisional Boltzmann equation, we derive for the first time and from first principles the Boltzmann hierarchy for neutrinos including interactions with a scalar particle. Such interactions appear, for example, in majoron-like models of neutrino mass generation. We study two limits of the scalar mass: (i) An extremely massive scalar whose only role is to mediate an effective 4-fermion neutrino-neutrino interaction, and (ii) a massless scalar that can be produced in abundance and thus demands its own Boltzmann hierarchy. In contrast to, e.g., the first-order Boltzmann hierarchy for Thomson-scattering photons, our interacting neutrino/scalar Boltzmann hierarchies contain additional momentum-dependent collision terms arising from a non-negligible energy transfer in the neutrino-neutrino and neutrino-scalar interactions. This necessitates that we track each momentum mode of the phase space distributions individually, even if the particles were massless. Comparing our hierarchy with the commonly used (c eff 2 ,c vis 2 )-parameterisation, we find no formal correspondence between the two approaches, which raises the question of whether the latter parameterisation even has an interpretation in terms of particle scattering. Lastly, although we have invoked majoron-like models as a motivation for our study, our treatment is in fact generally applicable to all scenarios in which the neutrino and/or other ultrarelativistic fermions interact with scalar particles
International Nuclear Information System (INIS)
Sanchez, Richard.
1980-11-01
This work is divided into two part the first part (note CEA-N-2165) deals with the solution of complex two-dimensional transport problems, the second one treats the critically mixed methods of resolution. These methods are applied for one-dimensional geometries with highly anisotropic scattering. In order to simplify the set of integral equation provided by the integral transport equation, the integro-differential equation is used to obtain relations that allow to lower the number of integral equation to solve; a general mathematical and numerical study is presented [fr
Lattice Boltzmann method and gas-kinetic BGK scheme in the low-Mach number viscous flow simulations
International Nuclear Information System (INIS)
Xu Kun; He Xiaoyi
2003-01-01
Both lattice Boltzmann method (LBM) and the gas-kinetic BGK scheme are based on the numerical discretization of the Boltzmann equation with collisional models, such as, the Bhatnagar-Gross-Krook (BGK) model. LBM tracks limited number of particles and the viscous flow behavior emerges automatically from the intrinsic particle stream and collisions process. On the other hand, the gas-kinetic BGK scheme is a finite volume scheme, where the time-dependent gas distribution function with continuous particle velocity space is constructed and used in the evaluation of the numerical fluxes across cell interfaces. Currently, LBM is mainly used for low Mach number, nearly incompressible flow simulation. For the gas-kinetic scheme, the application is focusing on the high speed compressible flows. In this paper, we are going to compare both schemes in the isothermal low-Mach number flow simulations. The methodology for developing both schemes will be clarified through the introduction of operator splitting Boltzmann model and operator averaging Boltzmann model. From the operator splitting Boltzmann model, the error rooted in many kinetic schemes, which are based on the decoupling of particle transport and collision, can be easily understood. As to the test case, we choose to use the 2D cavity flow since it is one of the most extensively studied cases. Detailed simulation results with different Reynolds numbers, as well as the benchmark solutions, are presented
Pramanik, S.; bandyopadhyay, S.; Cahay, M.
2003-01-01
We study high-field spin transport of electrons in a quasi one-dimensional channel of a $GaAs$ gate controlled spin interferometer (SPINFET) using a semiclassical formalism (spin density matrix evolution coupled with Boltzmann transport equation). Spin dephasing (or depolarization) is predominantly caused by D'yakonov-Perel' relaxation associated with momentum dependent spin orbit coupling effects that arise due to bulk inversion asymmetry (Dresselhaus spin orbit coupling) and structural inve...
Thermoelectric transport in superlattices
Energy Technology Data Exchange (ETDEWEB)
Reinecke, T L; Broido, D A
1997-07-01
The thermoelectric transport properties of superlattices have been studied using an exact solution of the Boltzmann equation. The role of heat transport along the barrier layers, of carrier tunneling through the barriers, of valley degeneracy and of the well width and energy dependences of the carrier-phonon scattering rates on the thermoelectric figure of merit are given. Calculations are given for Bi{sub 2}Te{sub 3} and for PbTe, and the results of recent experiments are discussed.
Differential equation of exospheric lateral transport and its application to terrestrial hydrogen
Hodges, R. R., Jr.
1973-01-01
The differential equation description of exospheric lateral transport of Hodges and Johnson is reformulated to extend its utility to light gases. Accuracy of the revised equation is established by applying it to terrestrial hydrogen. The resulting global distributions for several static exobase models are shown to be essentially the same as those that have been computed by Quessette using an integral equation approach. The present theory is subsequently used to elucidate the effects of nonzero lateral flow, exobase rotation, and diurnal tidal winds on the hydrogen distribution. Finally it is shown that the differential equation of exospheric transport is analogous to a diffusion equation. Hence it is practical to consider exospheric transport as a continuation of thermospheric diffusion, a concept that alleviates the need for an artificial exobase dividing thermosphere and exosphere.
A variational solution of transport equation based on spherical geometry
International Nuclear Information System (INIS)
Liu Hui; Zhang Ben'ai
2002-01-01
A variational method with differential forms gives better precision for numerical solution of transport critical problem based on spherical geometry, and its computation seems simple than other approximate methods
Application of Trotter approximation for solving time dependent neutron transport equation
International Nuclear Information System (INIS)
Stancic, V.
1987-01-01
A method is proposed to solve multigroup time dependent neutron transport equation with arbitrary scattering anisotropy. The recurrence relation thus obtained is simple, numerically stable and especially suitable for treatment of complicated geometries. (author)
Solution of linear transport equation using Chebyshev polynomials and Laplace transform
International Nuclear Information System (INIS)
Cardona, A.V.; Vilhena, M.T.M.B. de
1994-01-01
The Chebyshev polynomials and the Laplace transform are combined to solve, analytically, the linear transport equation in planar geometry, considering isotropic scattering and the one-group model. Numerical simulation is presented. (author)
International Nuclear Information System (INIS)
Kupchishin, A.I.
2015-01-01
The work was performed within in the context of cascade-probabilistic method, the essence of which is to obtain and further application of cascade-probability functions (CPF) for different particles. CPF make sense probability of that a particle generated at some depth h' reaches a certain depth h after the n-th number of collisions. We consider the interaction of particle with solids and relationship between radiation defect formation processes and Markov processes and Markov chains. It shows how to get the recurrence relations for the simplest CPF from the Chapman-Kolmogorov equations. (authors)
TLC scheme for numerical solution of the transport equation on equilateral triangular meshes
International Nuclear Information System (INIS)
Walters, W.F.
1983-01-01
A new triangular linear characteristic TLC scheme for numerically solving the transport equation on equilateral triangular meshes has been developed. This scheme uses the analytic solution of the transport equation in the triangle as its basis. The data on edges of the triangle are assumed linear as is the source representation. A characteristic approach or nodal approach is used to obtain the analytic solution. Test problems indicate that the new TLC is superior to the widely used DITRI scheme for accuracy
Evaluation of finite difference and FFT-based solutions of the transport of intensity equation.
Zhang, Hongbo; Zhou, Wen-Jing; Liu, Ying; Leber, Donald; Banerjee, Partha; Basunia, Mahmudunnabi; Poon, Ting-Chung
2018-01-01
A finite difference method is proposed for solving the transport of intensity equation. Simulation results show that although slower than fast Fourier transform (FFT)-based methods, finite difference methods are able to reconstruct the phase with better accuracy due to relaxed assumptions for solving the transport of intensity equation relative to FFT methods. Finite difference methods are also more flexible than FFT methods in dealing with different boundary conditions.
New diffusion-like solutions of one-speed transport equations in spherical geometry
International Nuclear Information System (INIS)
Sahni, D.C.
1988-01-01
Stationary, one-speed, spherically symmetric transport equations are considered in a conservative medium. Closed-form expressions are obtained for the angular flux ψ(r, μ) that yield a total flux varying as 1/r by using Sonine transforms. Properties of this solution are studied and it is shown that the solution can not be identified as a diffusion mode solution of the transport equation. Limitations of the Sonine transform technique are noted. (author)
Campos-García, Manuel; Granados-Agustín, Fermín.; Cornejo-Rodríguez, Alejandro; Estrada-Molina, Amilcar; Avendaño-Alejo, Maximino; Moreno-Oliva, Víctor Iván.
2013-11-01
In order to obtain a clearer interpretation of the Intensity Transport Equation (ITE), in this work, we propose an algorithm to solve it for some particular wavefronts and its corresponding intensity distributions. By simulating intensity distributions in some planes, the ITE is turns into a Poisson equation with Neumann boundary conditions. The Poisson equation is solved by means of the iterative algorithm SOR (Simultaneous Over-Relaxation).
International Nuclear Information System (INIS)
Zabadal, J.; Vilhena, M.T.; Segatto, C.F.; Pazos, R.P.Ruben Panta.
2002-01-01
In this work we construct a closed-form solution for the multidimensional transport equation rewritten in integral form which is expressed in terms of a fractional derivative of the angular flux. We determine the unknown order of the fractional derivative comparing the kernel of the integral equation with the one of the Riemann-Liouville definition of fractional derivative. We report numerical simulations
Energy Technology Data Exchange (ETDEWEB)
Zabadal, J. E-mail: jorge.zabadal@ufrgs.br; Vilhena, M.T. E-mail: vilhena@mat.ufrgs.br; Segatto, C.F. E-mail: cynthia@mat.ufrgs.br; Pazos, R.P.Ruben Panta. E-mail: rpp@mat.pucrgs.br
2002-07-01
In this work we construct a closed-form solution for the multidimensional transport equation rewritten in integral form which is expressed in terms of a fractional derivative of the angular flux. We determine the unknown order of the fractional derivative comparing the kernel of the integral equation with the one of the Riemann-Liouville definition of fractional derivative. We report numerical simulations.
The discontinuous finite element method for solving Eigenvalue problems of transport equations
International Nuclear Information System (INIS)
Yang, Shulin; Wang, Ruihong
2011-01-01
In this paper, the multigroup transport equations for solving the eigenvalues λ and K_e_f_f under two dimensional cylindrical coordinate are discussed. Aimed at the equations, the discretizing way combining discontinuous finite element method (DFE) with discrete ordinate method (SN) is developed, and the iterative algorithms and steps are studied. The numerical results show that the algorithms are efficient. (author)
The H-N method for solving linear transport equation: theory and application
International Nuclear Information System (INIS)
Kaskas, A.; Gulecyuz, M.C.; Tezcan, C.
2002-01-01
The system of singular integral equation which is obtained from the integro-differential form of the linear transport equation as a result of Placzec lemma is solved. Application are given using the exit distributions and the infinite medium Green's function. The same theoretical results are also obtained with the use of the singular eigenfunction of the method of elementary solutions
Two analytic transport equation solutions for particular cases of particle history
International Nuclear Information System (INIS)
Simovic, R.
1997-01-01
For anisotropic scattering and plane geometry, the linear transport equation of particles generated by a monodirectional unit source A(x,μ) = δ(x-0)δ(μ - μ 0 ) > 0, can be stated in the form of an integral equation
Energy Technology Data Exchange (ETDEWEB)
Rodriguez, B.D.A. [Universidade Federal Rio Grande do Sul, Programa de Pos-Graduacao em Engenharia Mecanica, Rua Portuguesa 218/304, 90650-12 Porto Alegre, RS (Brazil)], E-mail: barbara.arodriguez@gmail.com; Vilhena, M.T. [Universidade Federal Rio Grande do Sul, Departamento de Matematica Pura e Aplicada, Porto Alegre, RS (Brazil)], E-mail: vilhena@mat.ufrgs.br; Borges, V. [Universidade Federal Rio Grande do Sul, Programa de Pos-Graduacao em Engenharia Mecanica, Rua Portuguesa 218/304, 90650-12 Porto Alegre, RS (Brazil)], E-mail: borges@ufrgs.br; Hoff, G. [Pontificia Universidade Catolica do Rio Grande do Sul, Faculdade de Fisica, Porto Alegre, RS (Brazil)], E-mail: hoff@pucrs.br
2008-05-15
In this paper we solve the Fokker-Planck (FP) equation, an alternative approach for the Boltzmann transport equation for charged particles in a rectangular domain. To construct the solution we begin applying the P{sub N} approximation in the angular variable and the Laplace Transform in the x-variable, thus obtaining a first order linear differential equation in y-variable, which the solution is straightforward. The angular flux of electrons and the parameters of the medium are used for the calculation of the energy deposited by the secondary electrons generated by Compton Effect. The remaining effects will not be taken into account. The results will be presented under absorbed energy form in several points of interested. We present numerical simulations and comparisons with results obtained by using Geant4 (version 8) program which applies the Monte Carlo's technique to low energy libraries for a two-dimensional problem assuming the screened Rutherford differential scattering cross-section.
Lindley, David
2002-01-01
Ludwig Boltzmann (1844-1906) è il fisico e matematico austriaco che negli ultimi decenni dell'Ottocento e ancora ai primi del Novecento lottò contro l'opinione dominante tra gli scienziati dell'epoca per affermare la teoria atomica della materia. È noto come con Albert Einstein e fino a oggi la fisica si sia sviluppata e abbia celebrato i propri trionfi lungo le linee anticipate da Boltzmann. La controversia con Mach non riguardava soltanto l'esistenza degli atomi, ma l'intero modo di fare fisica che Boltzmann non riteneva di dover limitare allo studio di quantità misurabili, introducendo invece spiegazioni più elaborate basate su ipotesi più ampie.
Optimal partial mass transportation and obstacle Monge-Kantorovich equation
Igbida, Noureddine; Nguyen, Van Thanh
2018-05-01
Optimal partial mass transport, which is a variant of the optimal transport problem, consists in transporting effectively a prescribed amount of mass from a source to a target. The problem was first studied by Caffarelli and McCann (2010) [6] and Figalli (2010) [12] with a particular attention to the quadratic cost. Our aim here is to study the optimal partial mass transport problem with Finsler distance costs including the Monge cost given by the Euclidian distance. Our approach is different and our results do not follow from previous works. Among our results, we introduce a PDE of Monge-Kantorovich type with a double obstacle to characterize active submeasures, Kantorovich potential and optimal flow for the optimal partial transport problem. This new PDE enables us to study the uniqueness and monotonicity results for the active submeasures. Another interesting issue of our approach is its convenience for numerical analysis and computations that we develop in a separate paper [14] (Igbida and Nguyen, 2018).
Navier-Stokes Dynamics by a Discrete Boltzmann Model
Rubinstein, Robet
2010-01-01
This work investigates the possibility of particle-based algorithms for the Navier-Stokes equations and higher order continuum approximations of the Boltzmann equation; such algorithms would generalize the well-known Pullin scheme for the Euler equations. One such method is proposed in the context of a discrete velocity model of the Boltzmann equation. Preliminary results on shock structure are consistent with the expectation that the shock should be much broader than the near discontinuity predicted by the Pullin scheme, yet narrower than the prediction of the Boltzmann equation. We discuss the extension of this essentially deterministic method to a stochastic particle method that, like DSMC, samples the distribution function rather than resolving it completely.
Energy Technology Data Exchange (ETDEWEB)
Kim, Kyoungjin; Kwak, Ho Sang [School of Mechanical Engineering, Kumoh National Institute of Technology, 1 Yangho, Gumi, Gyeongbuk 730-701 (Korea, Republic of); Song, Tae-Ho, E-mail: kimkj@kumoh.ac.kr, E-mail: hskwak@kumoh.ac.kr, E-mail: thsong@kaist.ac.kr [Department of Mechanical, Aerospace and Systems Engineering, Korea Advanced Institute of Science and Technology, 373-1 Guseong, Yuseong, Daejeon 305-701 (Korea, Republic of)
2011-08-15
This paper describes a numerical model for simulating electroosmotic flows (EOFs) under non-Boltzmann equilibrium in a micro- and nanochannel. The transport of ionic species is represented by employing the Nernst-Planck equation. Modeling issues related to numerical difficulties are discussed, which include the handling of boundary conditions based on surface charge density, the associated treatment of electric potential and the evasion of nonlinearity due to the electric body force. The EOF in the entrance region of a straight channel is examined. The numerical results show that the present model is useful for the prediction of the EOFs requiring a fine resolution of the electric double layer under either the Boltzmann equilibrium or non-equilibrium. Based on the numerical results, the correlation between the surface charge density and the zeta potential is investigated.
Role of Dielectric Constant on Ion Transport: Reformulated Arrhenius Equation
Directory of Open Access Journals (Sweden)
Shujahadeen B. Aziz
2016-01-01
Full Text Available Solid and nanocomposite polymer electrolytes based on chitosan have been prepared by solution cast technique. The XRD results reveal the occurrence of complexation between chitosan (CS and the LiTf salt. The deconvolution of the diffractogram of nanocomposite solid polymer electrolytes demonstrates the increase of amorphous domain with increasing alumina content up to 4 wt.%. Further incorporation of alumina nanoparticles (6 to 10 wt.% Al2O3 results in crystallinity increase (large crystallite size. The morphological (SEM and EDX analysis well supported the XRD results. Similar trends of DC conductivity and dielectric constant with Al2O3 concentration were explained. The TEM images were used to explain the phenomena of space charge and blocking effects. The reformulated Arrhenius equation (σ(ε′,T=σoexp(-Ea/KBε′T was proposed from the smooth exponential behavior of DC conductivity versus dielectric constant at different temperatures. The more linear behavior of DC conductivity versus 1000/(ɛ′×T reveals the crucial role of dielectric constant in Arrhenius equation. The drawbacks of Arrhenius equation can be understood from the less linear behavior of DC conductivity versus 1000/T. The relaxation processes have been interpreted in terms of Argand plots.
dispersion equation parameters of solute transport in agricultural
African Journals Online (AJOL)
Jane
2011-08-31
Aug 31, 2011 ... fields for predicting soil quality property. Key words: ... The classical approach of modeling solute transport in porous media uses the deterministic ... concentration of the solution in the liquid phase, u0 is the mean velocity and ...
Elliptic random-walk equation for suspension and tracer transport in porous media
DEFF Research Database (Denmark)
Shapiro, Alexander; Bedrikovetsky, P. G.
2008-01-01
. The new theory predicts delay of the maximum of the tracer, compared to the velocity of the flow, while its forward "tail" contains much more particles than in the solution of the classical parabolic (advection-dispersion) equation. This is in agreement with the experimental observations and predictions......We propose a new approach to transport of the suspensions and tracers in porous media. The approach is based on a modified version of the continuous time random walk (CTRW) theory. In the framework of this theory we derive an elliptic transport equation. The new equation contains the time...... of the CTRW theory. (C) 2008 Elsevier B.V. All rights reserved....
Resolution of the neutron transport equation by massively parallel computer in the Cronos code
International Nuclear Information System (INIS)
Zardini, D.M.
1996-01-01
The feasibility of neutron transport problems parallel resolution by CRONOS code's SN module is here studied. In this report we give the first data about the parallel resolution by angular variable decomposition of the transport equation. Problems about parallel resolution by spatial variable decomposition and memory stage limits are also explained here. (author)
Diffusion and transport phenomena in a collisional magnetoplasma ...
Indian Academy of Sciences (India)
Boltzmann-transport equation is analytically solved for two-component magnetoplasma using Chapman-Enskog analysis to include collisional diffusion transport having anisotropies in both streaming velocity and temperature components. The modified collisional integrals are analytically solved with flux integrals and ...
Stability of Nonlinear Wave Patterns to the Bipolar Vlasov-Poisson-Boltzmann System
Li, Hailiang; Wang, Yi; Yang, Tong; Zhong, Mingying
2018-04-01
The main purpose of the present paper is to investigate the nonlinear stability of viscous shock waves and rarefaction waves for the bipolar Vlasov-Poisson-Boltzmann (VPB) system. To this end, motivated by the micro-macro decomposition to the Boltzmann equation in Liu and Yu (Commun Math Phys 246:133-179, 2004) and Liu et al. (Physica D 188:178-192, 2004), we first set up a new micro-macro decomposition around the local Maxwellian related to the bipolar VPB system and give a unified framework to study the nonlinear stability of the basic wave patterns to the system. Then, as applications of this new decomposition, the time-asymptotic stability of the two typical nonlinear wave patterns, viscous shock waves and rarefaction waves are proved for the 1D bipolar VPB system. More precisely, it is first proved that the linear superposition of two Boltzmann shock profiles in the first and third characteristic fields is nonlinearly stable to the 1D bipolar VPB system up to some suitable shifts without the zero macroscopic mass conditions on the initial perturbations. Then the time-asymptotic stability of the rarefaction wave fan to compressible Euler equations is proved for the 1D bipolar VPB system. These two results are concerned with the nonlinear stability of wave patterns for Boltzmann equation coupled with additional (electric) forces, which together with spectral analysis made in Li et al. (Indiana Univ Math J 65(2):665-725, 2016) sheds light on understanding the complicated dynamic behaviors around the wave patterns in the transportation of charged particles under the binary collisions, mutual interactions, and the effect of the electrostatic potential forces.
Modified two-fluid model for the two-group interfacial area transport equation
International Nuclear Information System (INIS)
Sun Xiaodong; Ishii, Mamoru; Kelly, Joseph M.
2003-01-01
This paper presents a modified two-fluid model that is ready to be applied in the approach of the two-group interfacial area transport equation. The two-group interfacial area transport equation was developed to provide a mechanistic constitutive relation for the interfacial area concentration in the two-fluid model. In the two-group transport equation, bubbles are categorized into two groups: spherical/distorted bubbles as Group 1 while cap/slug/churn-turbulent bubbles as Group 2. Therefore, this transport equation can be employed in the flow regimes spanning from bubbly, cap bubbly, slug to churn-turbulent flows. However, the introduction of the two groups of bubbles requires two gas velocity fields. Yet it is not practical to solve two momentum equations for the gas phase alone. In the current modified two-fluid model, a simplified approach is proposed. The momentum equation for the averaged velocity of both Group-1 and Group-2 bubbles is retained. By doing so, the velocity difference between Group-1 and Group-2 bubbles needs to be determined. This may be made either based on simplified momentum equations for both Group-1 and Group-2 bubbles or by a modified drift-flux model
Energy Technology Data Exchange (ETDEWEB)
Saha Ray, S., E-mail: santanusaharay@yahoo.com; Patra, A.
2014-10-15
Highlights: • A stationary transport equation has been solved using the technique of Haar wavelet collocation method. • This paper intends to provide the great utility of Haar wavelets to nuclear science problem. • In the present paper, two-dimensional Haar wavelets are applied. • The proposed method is mathematically very simple, easy and fast. - Abstract: In this paper the numerical solution for the fractional order stationary neutron transport equation is presented using Haar wavelet Collocation Method (HWCM). Haar wavelet collocation method is efficient and powerful in solving wide class of linear and nonlinear differential equations. This paper intends to provide an application of Haar wavelets to nuclear science problems. This paper describes the application of Haar wavelets for the numerical solution of fractional order stationary neutron transport equation in homogeneous medium with isotropic scattering. The proposed method is mathematically very simple, easy and fast. To demonstrate about the efficiency and applicability of the method, two test problems are discussed.
Least-squares finite element discretizations of neutron transport equations in 3 dimensions
Energy Technology Data Exchange (ETDEWEB)
Manteuffel, T.A [Univ. of Colorado, Boulder, CO (United States); Ressel, K.J. [Interdisciplinary Project Center for Supercomputing, Zurich (Switzerland); Starkes, G. [Universtaet Karlsruhe (Germany)
1996-12-31
The least-squares finite element framework to the neutron transport equation introduced in is based on the minimization of a least-squares functional applied to the properly scaled neutron transport equation. Here we report on some practical aspects of this approach for neutron transport calculations in three space dimensions. The systems of partial differential equations resulting from a P{sub 1} and P{sub 2} approximation of the angular dependence are derived. In the diffusive limit, the system is essentially a Poisson equation for zeroth moment and has a divergence structure for the set of moments of order 1. One of the key features of the least-squares approach is that it produces a posteriori error bounds. We report on the numerical results obtained for the minimum of the least-squares functional augmented by an additional boundary term using trilinear finite elements on a uniform tesselation into cubes.
Stability result for Navier-Stokes equations with entropy transport
Czech Academy of Sciences Publication Activity Database
Michálek, Martin
2015-01-01
Roč. 17, č. 2 (2015), s. 279-285 ISSN 1422-6928 R&D Projects: GA ČR GA13-00522S Institutional support: RVO:67985840 Keywords : compressible Navier-Stokes system * entropy transport * effective viscous flux Subject RIV: BA - General Mathematics Impact factor: 1.023, year: 2015 http://link.springer.com/article/10.1007%2Fs00021-015-0205-x
Maxwell iteration for the lattice Boltzmann method with diffusive scaling
Zhao, Weifeng; Yong, Wen-An
2017-03-01
In this work, we present an alternative derivation of the Navier-Stokes equations from Bhatnagar-Gross-Krook models of the lattice Boltzmann method with diffusive scaling. This derivation is based on the Maxwell iteration and can expose certain important features of the lattice Boltzmann solutions. Moreover, it will be seen to be much more straightforward and logically clearer than the existing approaches including the Chapman-Enskog expansion.
Indian Academy of Sciences (India)
Home; Journals; Resonance – Journal of Science Education; Volume 6; Issue 9. Entropy à la Boltzmann. Jayanta K Bhattacharjee. General Article Volume 6 Issue 9 September 2001 pp 19-34. Fulltext. Click here to view fulltext PDF. Permanent link: https://www.ias.ac.in/article/fulltext/reso/006/09/0019-0034 ...
Nonlocal Boltzmann theory of plasma channels
International Nuclear Information System (INIS)
Yu, S.S.; Melendez, R.E.
1983-01-01
The mathematical framework for the LLNL code NUTS is developed. This code is designed to study the evolution of an electron-beam-generated plasma channel at all pressures. The Boltzmann treatment of the secondary electrons presented include all inertial, nonlocal, electric and magnetic effects, as well as effects of atomic collisions. Field equations are advanced simultaneously and self-consistently with the evolving plasma currents
Generalized fluid equations for parallel transport in collisional to weakly collisional plasmas
International Nuclear Information System (INIS)
Zawaideh, E.; Najmabadi, F.; Conn, R.W.
1986-01-01
A new set of two-fluid equations that are valid from collisional to weakly collisional limits is derived. Starting from gyrokinetic equations in flux coordinates with no zero-order drifts, a set of moment equations describing plasma transport along the field lines of a space- and time-dependent magnetic field is derived. No restriction on the anisotropy of the ion distribution function is imposed. In the highly collisional limit, these equations reduce to those of Braginskii, while in the weakly collisional limit they are similar to the double adiabatic or Chew, Goldberger, and Low (CGL) equations [Proc. R. Soc. London, Ser. A 236, 112 (1956)]. The new set of equations also exhibits a physical singularity at the sound speed. This singularity is used to derive and compute the sound speed. Numerical examples comparing these equations with conventional transport equations show that in the limit where the ratio of the mean free path lambda to the scale length of the magnetic field gradient L/sub B/ approaches zero, there is no significant difference between the solution of the new and conventional transport equations. However, conventional fluid equations, ordinarily expected to be correct to the order (lambda/L/sub B/) 2 , are found to have errors of order (lambda/L/sub u/) 2 = (lambda/L/sub B/) 2 /(1-M 2 ) 2 , where L/sub u/ is the scale length of the flow velocity gradient and M is the Mach number. As such, the conventional equations may contain large errors near the sound speed (Mroughly-equal1)
Linear stochastic neutron transport theory
International Nuclear Information System (INIS)
Lewins, J.
1978-01-01
A new and direct derivation of the Bell-Pal fundamental equation for (low power) neutron stochastic behaviour in the Boltzmann continuum model is given. The development includes correlation of particle emission direction in induced and spontaneous fission. This leads to generalizations of the backward and forward equations for the mean and variance of neutron behaviour. The stochastic importance for neutron transport theory is introduced and related to the conventional deterministic importance. Defining equations and moment equations are derived and shown to be related to the backward fundamental equation with the detector distribution of the operational definition of stochastic importance playing the role of an adjoint source. (author)
A Unified Theory of Non-Ideal Gas Lattice Boltzmann Models
Luo, Li-Shi
1998-01-01
A non-ideal gas lattice Boltzmann model is directly derived, in an a priori fashion, from the Enskog equation for dense gases. The model is rigorously obtained by a systematic procedure to discretize the Enskog equation (in the presence of an external force) in both phase space and time. The lattice Boltzmann model derived here is thermodynamically consistent and is free of the defects which exist in previous lattice Boltzmann models for non-ideal gases. The existing lattice Boltzmann models for non-ideal gases are analyzed and compared with the model derived here.
Solution and Study of the Two-Dimensional Nodal Neutron Transport Equation
International Nuclear Information System (INIS)
Panta Pazos, Ruben; Biasotto Hauser, Eliete; Tullio de Vilhena, Marco
2002-01-01
In the last decade Vilhena and coworkers reported an analytical solution to the two-dimensional nodal discrete-ordinates approximations of the neutron transport equation in a convex domain. The key feature of these works was the application of the combined collocation method of the angular variable and nodal approach in the spatial variables. By nodal approach we mean the transverse integration of the SN equations. This procedure leads to a set of one-dimensional S N equations for the average angular fluxes in the variables x and y. These equations were solved by the old version of the LTS N method, which consists in the application of the Laplace transform to the set of nodal S N equations and solution of the resulting linear system by symbolic computation. It is important to recall that this procedure allow us to increase N the order of S N up to 16. To overcome this drawback we step forward performing a spectral painstaking analysis of the nodal S N equations for N up to 16 and we begin the convergence of the S N nodal equations defining an error for the angular flux and estimating the error in terms of the truncation error of the quadrature approximations of the integral term. Furthermore, we compare numerical results of this approach with those of other techniques used to solve the two-dimensional discrete approximations of the neutron transport equation. (authors)
L2-stability of the Vlasov-Maxwell-Boltzmann system near global Maxwellians
International Nuclear Information System (INIS)
Ha, Seung-Yeal; Xiao, Qinghua; Xiong, Linjie; Zhao, Huijiang
2013-01-01
We present a L 2 -stability theory of the Vlasov-Maxwell-Boltzmann system for the two-species collisional plasma. We show that in a perturbative regime of a global Maxwellian, the L 2 -distance between two strong solutions can be controlled by that between initial data in a Lipschitz manner. Our stability result extends earlier results [Ha, S.-Y. and Xiao, Q.-H., “A revisiting to the L 2 -stability theory of the Boltzmann equation near global Maxwellians,” (submitted) and Ha, S.-Y., Yang, X.-F., and Yun, S.-B., “L 2 stability theory of the Boltzmann equation near a global Maxwellian,” Arch. Ration. Mech. Anal. 197, 657–688 (2010)] on the L 2 -stability of the Boltzmann equation to the Boltzmann equation coupled with self-consistent external forces. As a direct application of our stability result, we show that classical solutions in Duan et al. [“Optimal large-time behavior of the Vlasov-Maxwell-Boltzmann system in the whole space,” Commun. Pure Appl. Math. 24, 1497–1546 (2011)] and Guo [“The Vlasov-Maxwell-Boltzmann system near Maxwellians,” Invent. Math. 153(3), 593–630 (2003)] satisfy a uniform L 2 -stability estimate. This is the first result on the L 2 -stability of the Boltzmann equation coupled with self-consistent field equations in three dimensions
Nature of complex time eigenvalues of the one speed transport equation in a homogeneous sphere
International Nuclear Information System (INIS)
Dahl, E.B.; Sahni, D.C.
1990-01-01
The complex time eigenvalues of the transport equation have been studied for one speed neutrons, scattered isotropically in a homogeneous sphere with vacuum boundary conditions. It is shown that the complex decay constants vary continuously with the radius of the sphere. Our earlier conjecture (Dahl and Sahni (1983-84)) regarding disjoint arcs is thus shown to be true. We also indicate that complex decay constants exist even for large assemblies, though with rapid oscillations in the corresponding eigenvectors. These modes cannot be predicted by the diffusion equation as this behaviour of the eigenvectors contradicts the assumption of 'slowly varying flux' needed to derive the diffusion approximation from the transport equation. For an infinite system, the existence of complex modes is related to the solution of a homogeneous equation. (author)
A time dependent mixing model to close PDF equations for transport in heterogeneous aquifers
Schüler, L.; Suciu, N.; Knabner, P.; Attinger, S.
2016-10-01
Probability density function (PDF) methods are a promising alternative to predicting the transport of solutes in groundwater under uncertainty. They make it possible to derive the evolution equations of the mean concentration and the concentration variance, used in moment methods. The mixing model, describing the transport of the PDF in concentration space, is essential for both methods. Finding a satisfactory mixing model is still an open question and due to the rather elaborate PDF methods, a difficult undertaking. Both the PDF equation and the concentration variance equation depend on the same mixing model. This connection is used to find and test an improved mixing model for the much easier to handle concentration variance. Subsequently, this mixing model is transferred to the PDF equation and tested. The newly proposed mixing model yields significantly improved results for both variance modelling and PDF modelling.
Second order time evolution of the multigroup diffusion and P1 equations for radiation transport
International Nuclear Information System (INIS)
Olson, Gordon L.
2011-01-01
Highlights: → An existing multigroup transport algorithm is extended to be second-order in time. → A new algorithm is presented that does not require a grey acceleration solution. → The two algorithms are tested with 2D, multi-material problems. → The two algorithms have comparable computational requirements. - Abstract: An existing solution method for solving the multigroup radiation equations, linear multifrequency-grey acceleration, is here extended to be second order in time. This method works for simple diffusion and for flux-limited diffusion, with or without material conduction. A new method is developed that does not require the solution of an averaged grey transport equation. It is effective solving both the diffusion and P 1 forms of the transport equation. Two dimensional, multi-material test problems are used to compare the solution methods.
Transport equations, Level Set and Eulerian mechanics. Application to fluid-structure coupling
International Nuclear Information System (INIS)
Maitre, E.
2008-11-01
My works were devoted to numerical analysis of non-linear elliptic-parabolic equations, to neutron transport equation and to the simulation of fabrics draping. More recently I developed an Eulerian method based on a level set formulation of the immersed boundary method to deal with fluid-structure coupling problems arising in bio-mechanics. Some of the more efficient algorithms to solve the neutron transport equation make use of the splitting of the transport operator taking into account its characteristics. In the present work we introduced a new algorithm based on this splitting and an adaptation of minimal residual methods to infinite dimensional case. We present the case where the velocity space is of dimension 1 (slab geometry) and 2 (plane geometry) because the splitting is simpler in the former
International Nuclear Information System (INIS)
Chen, G.S.
1997-01-01
We apply and compare the preconditioned generalized conjugate gradient methods to solve the linear system equation that arises in the two-dimensional neutron and photon transport equation in this paper. Several subroutines are developed on the basis of preconditioned generalized conjugate gradient methods for time-independent, two-dimensional neutron and photon transport equation in the transport theory. These generalized conjugate gradient methods are used. TFQMR (transpose free quasi-minimal residual algorithm), CGS (conjuage gradient square algorithm), Bi-CGSTAB (bi-conjugate gradient stabilized algorithm) and QMRCGSTAB (quasi-minimal residual variant of bi-conjugate gradient stabilized algorithm). These sub-routines are connected to computer program DORT. Several problems are tested on a personal computer with Intel Pentium CPU. (author)
A general analytical approach to the one-group, one-dimensional transport equation
International Nuclear Information System (INIS)
Barichello, L.B.; Vilhena, M.T.
1993-01-01
The main feature of the presented approach to solve the neutron transport equation consists in the application of the Laplace transform to the discrete ordinates equations, which yields a linear system of order N to be solved (LTS N method). In this paper this system is solved analytically and the inversion is performed using the Heaviside expansion technique. The general formulation achieved by this procedure is then applied to homogeneous and heterogeneous one-group slab-geometry problems. (orig.) [de
Boltzmann Solver with Adaptive Mesh in Velocity Space
International Nuclear Information System (INIS)
Kolobov, Vladimir I.; Arslanbekov, Robert R.; Frolova, Anna A.
2011-01-01
We describe the implementation of direct Boltzmann solver with Adaptive Mesh in Velocity Space (AMVS) using quad/octree data structure. The benefits of the AMVS technique are demonstrated for the charged particle transport in weakly ionized plasmas where the collision integral is linear. We also describe the implementation of AMVS for the nonlinear Boltzmann collision integral. Test computations demonstrate both advantages and deficiencies of the current method for calculations of narrow-kernel distributions.
Variance estimates for transport in stochastic media by means of the master equation
International Nuclear Information System (INIS)
Pautz, S. D.; Franke, B. C.; Prinja, A. K.
2013-01-01
The master equation has been used to examine properties of transport in stochastic media. It has been shown previously that not only may the Levermore-Pomraning (LP) model be derived from the master equation for a description of ensemble-averaged transport quantities, but also that equations describing higher-order statistical moments may be obtained. We examine in greater detail the equations governing the second moments of the distribution of the angular fluxes, from which variances may be computed. We introduce a simple closure for these equations, as well as several models for estimating the variances of derived transport quantities. We revisit previous benchmarks for transport in stochastic media in order to examine the error of these new variance models. We find, not surprisingly, that the errors in these variance estimates are at least as large as the corresponding estimates of the average, and sometimes much larger. We also identify patterns in these variance estimates that may help guide the construction of more accurate models. (authors)
Advances in the solution of three-dimensional nodal neutron transport equation
International Nuclear Information System (INIS)
Pazos, Ruben Panta; Hauser, Eliete Biasotto; Vilhena, Marco Tullio de
2003-01-01
In this paper we study the three-dimensional nodal discrete-ordinates approximations of neutron transport equation in a convex domain with piecewise smooth boundaries. We use the combined collocation method of the angular variables and nodal approach for the spatial variables. By nodal approach we mean the iterated transverse integration of the S N equations. This procedure leads to the set of one-dimensional averages angular fluxes in each spatial variable. The resulting system of equations is solved with the LTS N method, first applying the Laplace transform to the set of the nodal S N equations and then obtaining the solution by symbolic computation. We include the LTS N method by diagonalization to solve the nodal neutron transport equation and then we outline the convergence of these nodal-LTS N approximations with the help of a norm associated to the quadrature formula used to approximate the integral term of the neutron transport equation. We give numerical results obtained with an algebraic computer system (for N up to 8) and with a code for higher values of N. We compare our results for the geometry of a box with a source in a vertex and a leakage zone in the opposite with others techniques used in this problem. (author)
Solving the transport equation with quadratic finite elements: Theory and applications
International Nuclear Information System (INIS)
Ferguson, J.M.
1997-01-01
At the 4th Joint Conference on Computational Mathematics, the author presented a paper introducing a new quadratic finite element scheme (QFEM) for solving the transport equation. In the ensuing year the author has obtained considerable experience in the application of this method, including solution of eigenvalue problems, transmission problems, and solution of the adjoint form of the equation as well as the usual forward solution. He will present detailed results, and will also discuss other refinements of his transport codes, particularly for 3-dimensional problems on rectilinear and non-rectilinear grids
The Transport Equation in Optically Thick Media: Discussion of IMC and its Diffusion Limit
Energy Technology Data Exchange (ETDEWEB)
Szoke, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Brooks, E. D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2016-07-12
We discuss the limits of validity of the Implicit Monte Carlo (IMC) method for the transport of thermally emitted radiation. The weakened coupling between the radiation and material energy of the IMC method causes defects in handling problems with strong transients. We introduce an approach to asymptotic analysis for the transport equation that emphasizes the fact that the radiation and material temperatures are always different in time-dependent problems, and we use it to show that IMC does not produce the correct diffusion limit. As this is a defect of IMC in the continuous equations, no improvement to its discretization can remedy it.
Development of a polynomial nodal model to the multigroup transport equation in one dimension
International Nuclear Information System (INIS)
Feiz, M.
1986-01-01
A polynomial nodal model that uses Legendre polynomial expansions was developed for the multigroup transport equation in one dimension. The development depends upon the least-squares minimization of the residuals using the approximate functions over the node. Analytical expressions were developed for the polynomial coefficients. The odd moments of the angular neutron flux over the half ranges were used at the internal interfaces, and the Marshak boundary condition was used at the external boundaries. Sample problems with fine-mesh finite-difference solutions of the diffusion and transport equations were used for comparison with the model
Fischer, J.; Fellmuth, B.; Gaiser, C.; Zandt, T.; Pitre, L.; Sparasci, F.; Plimmer, M. D.; de Podesta, M.; Underwood, R.; Sutton, G.; Machin, G.; Gavioso, R. M.; Madonna Ripa, D.; Steur, P. P. M.; Qu, J.; Feng, X. J.; Zhang, J.; Moldover, M. R.; Benz, S. P.; White, D. R.; Gianfrani, L.; Castrillo, A.; Moretti, L.; Darquié, B.; Moufarej, E.; Daussy, C.; Briaudeau, S.; Kozlova, O.; Risegari, L.; Segovia, J. J.; Martín, M. C.; del Campo, D.
2018-04-01
The International Committee for Weights and Measures (CIPM), at its meeting in October 2017, followed the recommendation of the Consultative Committee for Units (CCU) on the redefinition of the kilogram, ampere, kelvin and mole. For the redefinition of the kelvin, the Boltzmann constant will be fixed with the numerical value 1.380 649 × 10-23 J K-1. The relative standard uncertainty to be transferred to the thermodynamic temperature value of the triple point of water will be 3.7 × 10-7, corresponding to an uncertainty in temperature of 0.10 mK, sufficiently low for all practical purposes. With the redefinition of the kelvin, the broad research activities of the temperature community on the determination of the Boltzmann constant have been very successfully completed. In the following, a review of the determinations of the Boltzmann constant k, important for the new definition of the kelvin and performed in the last decade, is given.
Coupled force-balance and particle-occupation rate equations for high-field electron transport
International Nuclear Information System (INIS)
Lei, X. L.
2008-01-01
It is pointed out that in the framework of balance-equation approach, the coupled force-balance and particle-occupation rate equations can be used as a complete set of equations to determine the high-field transport of semiconductors in both strong and weak electron-electron interaction limits. We call to attention that the occupation rate equation conserves the total particle number and maintains the energy balance of the relative electron system, and there is no need to introduce any other term in it. The addition of an energy-drift term in the particle-occupation rate equation [Phys. Rev. B 71, 195205 (2005)] is physically inadequate for the violation of the total particle-number conservation and the energy balance. It may lead to a substantial unphysical increase of the total particle number by the application of a dc electric field
Lattice Boltzmann simulations of liquid crystalline fluids: active gels and blue phases
Cates, M. E.; Henrich, O.; Marenduzzo, D.; Stratford, K.
2010-01-01
Lattice Boltzmann simulations have become a method of choice to solve the hydrodynamic equations of motion of a number of complex fluids. Here we review some recent applications of lattice Boltzmann to study the hydrodynamics of liquid crystalline materials. In particular, we focus on the study of (a) the exotic blue phases of cholesteric liquid crystals, and (b) active gels - a model system for actin plus myosin solutions or bacterial suspensions. In both cases lattice Boltzmann studies have...
Mathematical model of Boltzmann's sigmoidal equation applicable ...
Indian Academy of Sciences (India)
Ingeniería-Química, COARA—Universidad Autónoma de San Luis Potosí, Matehuala, San Luis Potosí, Mexico; Instituto Politécnico Nacional, CICATA Legaria, Calzada Legaria No. 694, Colonia Irrigación, 11500 Ciudad de México, Mexico; Departamento de Ingeniería Agrícola, DICIVA, Universidad de Guanajuato, Campus ...
Mathematical model of Boltzmann's sigmoidal equation applicable ...
Indian Academy of Sciences (India)
2017-08-18
Aug 18, 2017 ... In this work, we present the stoichiometric behaviour of Ba2+ and Sr2+ when they are deposited to make a solid solution of ... environmental stimulus [6]. Also ... transition changes from continuous to discontinuous at the.
Simulation of neutron transport equation using parallel Monte Carlo for deep penetration problems
International Nuclear Information System (INIS)
Bekar, K. K.; Tombakoglu, M.; Soekmen, C. N.
2001-01-01
Neutron transport equation is simulated using parallel Monte Carlo method for deep penetration neutron transport problem. Monte Carlo simulation is parallelized by using three different techniques; direct parallelization, domain decomposition and domain decomposition with load balancing, which are used with PVM (Parallel Virtual Machine) software on LAN (Local Area Network). The results of parallel simulation are given for various model problems. The performances of the parallelization techniques are compared with each other. Moreover, the effects of variance reduction techniques on parallelization are discussed
International Nuclear Information System (INIS)
Ho, D.D.M.; Kulsrud, R.M.
1985-09-01
Stellarator ion transport in the low-collisionality regime with a radial electric field is calculated by a systematic expansion of the drift-Boltzmann equation. The shape of the helical well is taken into account in this calculation. It is found that the barely trapped ions with three to four times the thermal energy give the dominant contribution to the diffusion. Expressions for the ion particle and energy fluxes are derived
Boltzmann map for quantum oscillators
International Nuclear Information System (INIS)
Streater, R.F.
1987-01-01
The authors define a map tau on the space of quasifree states of the CCR or CAR of more than one harmonic oscillator which increases entropy except at fixed points of tau. The map tau is the composition of a double stochastic map T*, and the quasifree reduction Q. Under mixing conditions on T, iterates of tau take any initial state to the Gibbs states, provided that the oscillator frequencies are mutually rational. They give an example of a system with three degrees of freedom with energies omega 1 , omega 2 , and omega 3 mutually irrational, but obeying a relation n 1 omega 1 + n 2 omega 2 = n 3 omega 3 , n/sub i/epsilon Z. The iterated Boltzmann map converges from an initial state rho to independent Gibbs states of the three oscillators at betas (inverse temperatures) β 1 , β 2 , β 3 obeying the equation n 1 omega 1 β 1 + n 2 omega 3 β 1 number. The equilibrium state can be rewritten as a grand canonical state. They show that for two, three, or four fermions we can get the usual rate equations as a special case
Parallel algorithms for 2-D cylindrical transport equations of Eigenvalue problem
International Nuclear Information System (INIS)
Wei, J.; Yang, S.
2013-01-01
In this paper, aimed at the neutron transport equations of eigenvalue problem under 2-D cylindrical geometry on unstructured grid, the discrete scheme of Sn discrete ordinate and discontinuous finite is built, and the parallel computation for the scheme is realized on MPI systems. Numerical experiments indicate that the designed parallel algorithm can reach perfect speedup, it has good practicality and scalability. (authors)
On the relativistic transport equation for a discontinuity wave of multiplicity one
International Nuclear Information System (INIS)
Giambo, Sebastiano; Palumbo, Annunziata
1980-01-01
In the framework of the theory of the singular hypersurfaces, the transport equation for the amplitude of a discontinuity wave, corresponding to a simple characteristic of a quasi-linear hyperbolic system, is established in the context of special relativity [fr
Measuring the contour of a wavefront using the Irradiance Transport Equation (ITE)
Castillo-Rodríguez, Luis; Granados-Agustín, Fermín; Fernández-Guasti, Manuel; Cornejo-Rodríguez, Alejandro
2006-01-01
The Irradiance Transport Equation (ITE), found by Teague, had been used in optics with different applications. One of the field where had been used is in optical testing, for example, with the method developed by Takeda. In this paper following the idea of using different optical and mathematical analysis method, theorical and experimental results are presented.
On the history of a stochastic ansatz for solving the transport equation
International Nuclear Information System (INIS)
Williams, M.M.R.
2010-01-01
A very useful approximate tool for understanding the role of random material properties on solutions of the transport equation is described and its historical derivation given. The development of this stochastic tool, from its introduction by Randall, to its use in describing current problems involving dichotomic or pseudo-dichotomic Markov processes is discussed.
FMCEIR: a Monte Carlo program for solving the stationary neutron and gamma transport equation
International Nuclear Information System (INIS)
Taormina, A.
1978-05-01
FMCEIR is a three-dimensional Monte Carlo program for solving the stationary neutron and gamma transport equation. It is used to study the problem of neutron and gamma streaming in the GCFR and HHT reactor channels. (G.T.H.)
Solving the two-dimensional stationary transport equation with the aid of the nodal method
International Nuclear Information System (INIS)
Mesina, M.
1976-07-01
In this document the two-dimensional stationary transport equation for the geometry of a fuel assembly or for a system of square boxes has been formulated as an algebraic eigenvalue problem, and the solution was achieved with the computer code NODE 2 which was developed for this purpose. (orig.) [de
International Nuclear Information System (INIS)
Goncalves, Glenio Aguiar
2003-01-01
In this work, we are reported analytical solutions for the transport equation for neutral particles in cylindrical and cartesian geometry. For the cylindrical geometry, it is applied the Hankel transform of order zero in the S N approximation of the one-dimensional cylindrical transport equation, assuming azimuthal symmetry and isotropic scattering. This procedure is coined HTSN method. The anisotropic problem is handled using the decomposition method, generating a recursive approach, which the HTSN solution is used as initial condition. For cartesian geometry, the one and two dimensional transport equation is derived in the angular variable as many time as the degree of the anisotropic scattering. This procedure leads to set of integro-differential plus one differential equation that can be really solved by the variable separation method. Following this procedure, it was possible to come out with the Case solution for the one-dimensional problem. Numerical simulations are reported for the cylindrical transport problem both isotropic and anisotropic case of quadratic degree. (author)
Description of deeply inelastic collisions in terms of a transport equation
International Nuclear Information System (INIS)
Weidenmueller, H.A.
1977-01-01
A transport equation for deeply inelastic collisions is derived from a random-matrix model for the form factors for inelastic scattering and transfer reactions. The parametrization of these form factors is discussed. Results in one dimension indicate the importance of quantum fluctuations, and limitations of other approaches to the same problem. Results of three dimensions are compared with the data
Application of finite element method in the solution of transport equation
International Nuclear Information System (INIS)
Maiorino, J.R.; Vieira, W.J.
1985-01-01
It is presented the application of finite element method in the solution of second order transport equation (self-adjoint) for the even parity flux. The angular component is treated by expansion in Legendre polinomials uncoupled of the spatial component, which is approached by an expansion in base functions, interpolated in each spatial element. (M.C.K.) [pt
Steady-state transport equation resolution by particle methods, and numerical results
International Nuclear Information System (INIS)
Mercier, B.
1985-10-01
A method to solve steady-state transport equation has been given. Principles of the method are given. The method is studied in two different cases; estimations given by the theory are compared to numerical results. Results got in 1-D (spherical geometry) and in 2-D (axisymmetric geometry) are given [fr
Nonequilibrium phenomena in QCD and BEC. Boltzmann and beyond
Energy Technology Data Exchange (ETDEWEB)
Stockamp, T.
2006-12-22
In chapter 2 we chose the real time formalism to discuss some basic principles in quantum field theory at finite temperature. This enables us to derive the quantum Boltzmann equation from the Schwinger-Dyson series. We then shortly introduce the basic concepts of QCD which are needed to understand the physics of QGP formation. After a detailed account on the bottom-up scenario we show the consistency of this approach by a diagramatical analysis of the relevant Boltzmann collision integrals. Chapter 3 deals with BEC dynamics out of equilibrium. After an introduction to the fundamental theoretical tool - namely the Gross-Pitaevskii equation - we focus on a generalization to finite temperature developed by Zaremba, Nikuni and Griffin (ZNG). These authors use a Boltzmann equation to describe the interactions between condensed and excited atoms and manage in this way to describe condensate growth. We then turn to a discussion on the 2PI effective action and derive equations of motion for a relativistic scalar field theory. In the nonrelativistic limit these equations are shown to coincide with the ZNG theory when a quasiparticle approximation is applied. Finally, we perform a numerical analysis of the full 2PI equations. These remain valid even at strong coupling and far from equilibrium, and thus go far beyond Boltzmann's approach. For simplicity, we limit ourselves to a homogeneous system and present the first 3+1 dimensional study of condensate melting. (orig.)
Resolution of the neutron transport equation by a three-dimensional least square method
International Nuclear Information System (INIS)
Varin, Elisabeth
2001-01-01
The knowledge of space and time distribution of neutrons with a certain energy or speed allows the exploitation and control of a nuclear reactor and the assessment of the irradiation dose about an irradiated nuclear fuel storage site. The neutron density is described by a transport equation. The objective of this research thesis is to develop a software for the resolution of this stationary equation in a three-dimensional Cartesian domain by means of a deterministic method. After a presentation of the transport equation, the author gives an overview of the different deterministic resolution approaches, identifies their benefits and drawbacks, and discusses the choice of the Ressel method. The least square method is precisely described and then applied. Numerical benchmarks are reported for validation purposes
A numerical solution of the coupled proton-H atom transport equations for the proton aurora
International Nuclear Information System (INIS)
Basu, B.; Jasperse, J.R.; Grossbard, N.J.
1990-01-01
A numerical code has been developed to solve the coupled proton-H atom linear transport equations for the proton aurora. The transport equations have been simplified by using plane-parallel geometry and the forward-scattering approximations only. Otherwise, the equations and their numerical solutions are exact. Results are presented for the particle fluxes and the energy deposition rates, and they are compared with the previous analytical results that were obtained by using additional simplifying approximations. It is found that although the analytical solutions for the particle fluxes differ somewhat from the numerical solutions, the energy deposition rates calculated by the two methods agree to within a few percent. The accurate particle fluxes given by the numerical code are useful for accurate calculation of the characteristic quantities of the proton aurora, such as the ionization rates and the emission rates
Radiative transport equation for the Mittag-Leffler path length distribution
Liemert, André; Kienle, Alwin
2017-05-01
In this paper, we consider the radiative transport equation for infinitely extended scattering media that are characterized by the Mittag-Leffler path length distribution p (ℓ ) =-∂ℓEα(-σtℓα ) , which is a generalization of the usually assumed Lambert-Beer law p (ℓ ) =σtexp(-σtℓ ) . In this context, we derive the infinite-space Green's function of the underlying fractional transport equation for the spherically symmetric medium as well as for the one-dimensional string. Moreover, simple analytical solutions are presented for the prediction of the radiation field in the single-scattering approximation. The resulting equations are compared with Monte Carlo simulations in the steady-state and time domain showing, within the stochastic nature of the simulations, an excellent agreement.
Energy Technology Data Exchange (ETDEWEB)
Chepe P, M. [Universidad Autonoma Metropolitana, Unidad Iztapalapa, San Rafael Atlixco No. 186, Col. Vicentina, 09340 Ciudad de Mexico (Mexico); Xolocostli M, J. V.; Gomez T, A. M. [ININ, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico); Del Valle G, E., E-mail: liaison.web@gmail.com [IPN, Escuela Superior de Fisica y Matematicas, Av. IPN s/n, Col. San Pedro Zacatenco, 07730 Ciudad de Mexico (Mexico)
2016-09-15
Due to the current computing power, the deterministic codes for analyzing nuclear reactors that have been used for several years are becoming more relevant, since much more precise solution techniques can be used; the last century would have been very difficult, since memory and processor capacities were very limited or had high prices on the components. In this work we analyze the effect of the anisotropic dispersion of the effective dispersion section, compared to the isotropic dispersion. The anisotropy implementation was carried out in the AZTRAN transport code, which is part of the AZTLAN platform for nuclear reactors analysis (in development). The AZTRAN code solves the Boltzmann transport equation in one, two and three dimensions at steady state, using the multi-group technique for energy discretization, the RTN-0 nodal method in spatial discretization and for angular discretization the discrete ordinates without considering anisotropy originally. The effect of the anisotropy dispersion on the effective multiplication factor and the axial and radial power on a fuel assembly BWR type are analyzed. (Author)
Application of the finite element method to the neutron transport equation
International Nuclear Information System (INIS)
Martin, W.R.
1976-01-01
This paper examines the theoretical and practical application of the finite element method to the neutron transport equation. It is shown that in principle the system of equations obtained by application of the finite element method can be solved with certain physical restrictions concerning the criticality of the medium. The convergence of this approximate solution to the exact solution with mesh refinement is examined, and a non-optical estimate of the convergence rate is obtained analytically. It is noted that the numerical results indicate a faster convergence rate and several approaches to obtain this result analytically are outlined. The practical application of the finite element method involved the development of a computer code capable of solving the neutron transport equation in 1-D plane geometry. Vacuum, reflecting, or specified incoming boundary conditions may be analyzed, and all are treated as natural boundary conditions. The time-dependent transport equation is also examined and it is shown that the application of the finite element method in conjunction with the Crank-Nicholson time discretization method results in a system of algebraic equations which is readily solved. Numerical results are given for several critical slab eigenvalue problems, including anisotropic scattering, and the results compare extremely well with benchmark results. It is seen that the finite element code is more efficient than a standard discrete ordinates code for certain problems. A problem with severe heterogeneities is considered and it is shown that the use of discontinuous spatial and angular elements results in a marked improvement in the results. Finally, time-dependent problems are examined and it is seen that the phenomenon of angular mode separation makes the numerical treatment of the transport equation in slab geometry a considerable challenge, with the result that the angular mesh has a dominant effect on obtaining acceptable solutions
Poisson-Boltzmann versus Size-Modified Poisson-Boltzmann Electrostatics Applied to Lipid Bilayers.
Wang, Nuo; Zhou, Shenggao; Kekenes-Huskey, Peter M; Li, Bo; McCammon, J Andrew
2014-12-26
Mean-field methods, such as the Poisson-Boltzmann equation (PBE), are often used to calculate the electrostatic properties of molecular systems. In the past two decades, an enhancement of the PBE, the size-modified Poisson-Boltzmann equation (SMPBE), has been reported. Here, the PBE and the SMPBE are reevaluated for realistic molecular systems, namely, lipid bilayers, under eight different sets of input parameters. The SMPBE appears to reproduce the molecular dynamics simulation results better than the PBE only under specific parameter sets, but in general, it performs no better than the Stern layer correction of the PBE. These results emphasize the need for careful discussions of the accuracy of mean-field calculations on realistic systems with respect to the choice of parameters and call for reconsideration of the cost-efficiency and the significance of the current SMPBE formulation.
International Nuclear Information System (INIS)
Cho, Nam Zin; Park, Chang Je
2001-01-01
An additive angular-dependent re-balance (AADR) factor acceleration method is described to accelerate the source iteration of discrete ordinates transport calculation. The formulation of the AADR method follows that of the angular-dependent re-balance (ADR) method in that the re-balance factor is defined only on the cell interface and in that the low-order equation is derived by integrating the transport equation (high-order equation) over angular subspaces. But, the re-balance factor is applied additively. While the AADR method is similar to the boundary projection acceleration and the alpha-weighted linear acceleration, it is more general and does have distinct features. The method is easily extendible to DP N and low-order S N re-balancing, and it does not require consistent discretizations between the high- and low-order equations as in diffusion synthetic acceleration. We find by Fourier analysis and numerical results that the AADR method with a chosen form of weighting functions is unconditionally stable and very effective. There also exists an optimal weighting parameter that leads to the smallest spectral radius. The AADR acceleration method described in this paper is simple to implement, unconditionally stable, and very effective. It uses a physically based weighting function with an optimal parameter, leading to the best spectral radius of ρ<0.1865, compared to ρ<0.2247 of DSA. The application of the AADR acceleration method with the LMB scheme on a test problem shows encouraging results
Self-Adjoint Angular Flux Equation for Coupled Electron-Photon Transport
International Nuclear Information System (INIS)
Liscum-Powell, J.L.; Lorence, L.J. Jr.; Morel, J.E.; Prinja, A.K.
1999-01-01
Recently, Morel and McGhee described an alternate second-order form of the transport equation called the self adjoint angular flux (SAAF) equation that has the angular flux as its unknown. The SAAF formulation has all the advantages of the traditional even- and odd-parity self-adjoint equations, with the added advantages that it yields the full angular flux when it is numerically solved, it is significantly easier to implement reflective and reflective-like boundary conditions, and in the appropriate form it can be solved in void regions. The SAAF equation has the disadvantage that the angular domain is the full unit sphere and, like the even- and odd- parity form, S n source iteration cannot be implemented using the standard sweeping algorithm. Also, problems arise in pure scattering media. Morel and McGhee demonstrated the efficacy of the SAAF formulation for neutral particle transport. Here we apply the SAAF formulation to coupled electron-photon transport problems using multigroup cross-sections from the CEPXS code and S n discretization
Self-adjoint angular flux equation for coupled electron-photon transport
International Nuclear Information System (INIS)
Liscum-Powell, J.L.; Prinja, A.K.; Morel, J.E.; Lorence, L.J. Jr.
1999-01-01
Recently, Morel and McGhee described an alternate second-order form of the transport equation called the self-adjoint angular flux (SAAF) equation that has the angular flux as its unknown. The SAAF formulation has all the advantages of the traditional even- and odd-parity self-adjoint equations, with the added advantages that it yields the full angular flux when it is numerically solved, it is significantly easier to implement reflective and reflective-like boundary conditions, and in the appropriate form it can be solved in void regions. The SAAF equation has the disadvantage that the angular domain is the full unit sphere, and, like the even- and odd-parity form, S n source iteration cannot be implemented using the standard sweeping algorithm. Also, problems arise in pure scattering media. Morel and McGhee demonstrated the efficacy of the SAAF formulation for neutral particle transport. Here, the authors apply the SAAF formulation to coupled electron-photon transport problems using multigroup cross sections from the CEPXS code and S n discretization
Transport Properties of a Kinetic Model for Chemical Reactions without Barriers
International Nuclear Information System (INIS)
Alves, Giselle M.; Kremer, Gilberto M.; Soares, Ana Jacinta
2011-01-01
A kinetic model of the Boltzmann equation for chemical reactions without energy barrier is considered here with the aim of evaluating the reaction rate and characterizing the transport coefficient of shear viscosity for the reactive system. The Chapman-Enskog solution of the Boltzmann equation is used to compute the chemical reaction effects, in a flow regime for which the reaction process is close to the final equilibrium state. Some numerical results are provided illustrating that the considered chemical reaction without energy barrier can induce an appreciable influence on the reaction rate and on the transport coefficient of shear viscosity.
Analysis of an upstream weighted collocation approximation to the transport equation
International Nuclear Information System (INIS)
Shapiro, A.; Pinder, G.F.
1981-01-01
The numerical behavior of a modified orthogonal collocation method, as applied to the transport equations, can be examined through the use of a Fourier series analysis. The necessity of such a study becomes apparent in the analysis of several techniques which emulate classical upstream weighting schemes. These techniques are employed in orthogonal collocation and other numerical methods as a means of handling parabolic partial differential equations with significant first-order terms. Divergent behavior can be shown to exist in one upstream weighting method applied to orthogonal collocation
Resolution of the steady state transport equation for Lagrangian geometry with cylindrical symmetry
International Nuclear Information System (INIS)
Samba, G.
1983-05-01
The purpose of this work is to solve the steady state transport equation for (r, z) geometries given by hydrodynamics calculations. The discontinuous finite element method for the space variables (r, z) provides a stable scheme which satisfies the particle balance equation. We are able to sweep cells for each direction over the mesh to have an explicit scheme. The graph theory provides a very efficient algorithm to compute this ordering array. Previously, we must divide all the quadrilaterals into two triangles to get only convex cells. Thus, we get a fast, vectorized calculation which gives a good accuracy on very distorted meshes [fr
Normal scheme for solving the transport equation independently of spatial discretization
International Nuclear Information System (INIS)
Zamonsky, O.M.
1993-01-01
To solve the discrete ordinates neutron transport equation, a general order nodal scheme is used, where nodes are allowed to have different orders of approximation and the whole system reaches a final order distribution. Independence in the election of system discretization and order of approximation is obtained without loss of accuracy. The final equations and the iterative method to reach a converged order solution were implemented in a two-dimensional computer code to solve monoenergetic, isotropic scattering, external source problems. Two benchmark problems were solved using different automatic selection order methods. Results show accurate solutions without spatial discretization, regardless of the initial selection of distribution order. (author)
Sakaida, Satoshi; Tabe, Yutaka; Chikahisa, Takemi
2017-09-01
A method for the large-scale simulation with the lattice Boltzmann method (LBM) is proposed for liquid water movement in a gas diffusion layer (GDL) of polymer electrolyte membrane fuel cells. The LBM is able to analyze two-phase flows in complex structures, however the simulation domain is limited due to heavy computational loads. This study investigates a variety means to reduce computational loads and increase the simulation areas. One is applying an LBM treating two-phases as having the same density, together with keeping numerical stability with large time steps. The applicability of this approach is confirmed by comparing the results with rigorous simulations using actual density. The second is establishing the maximum limit of the Capillary number that maintains flow patterns similar to the precise simulation; this is attempted as the computational load is inversely proportional to the Capillary number. The results show that the Capillary number can be increased to 3.0 × 10-3, where the actual operation corresponds to Ca = 10-5∼10-8. The limit is also investigated experimentally using an enlarged scale model satisfying similarity conditions for the flow. Finally, a demonstration is made of the effects of pore uniformity in GDL as an example of a large-scale simulation covering a channel.
Essentially Entropic Lattice Boltzmann Model
Atif, Mohammad; Kolluru, Praveen Kumar; Thantanapally, Chakradhar; Ansumali, Santosh
2017-12-01
The entropic lattice Boltzmann model (ELBM), a discrete space-time kinetic theory for hydrodynamics, ensures nonlinear stability via the discrete time version of the second law of thermodynamics (the H theorem). Compliance with the H theorem is numerically enforced in this methodology and involves a search for the maximal discrete path length corresponding to the zero dissipation state by iteratively solving a nonlinear equation. We demonstrate that an exact solution for the path length can be obtained by assuming a natural criterion of negative entropy change, thereby reducing the problem to solving an inequality. This inequality is solved by creating a new framework for construction of Padé approximants via quadrature on appropriate convex function. This exact solution also resolves the issue of indeterminacy in case of nonexistence of the entropic involution step. Since our formulation is devoid of complex mathematical library functions, the computational cost is drastically reduced. To illustrate this, we have simulated a model setup of flow over the NACA-0012 airfoil at a Reynolds number of 2.88 ×106.
Electron and ion transport equations in computational weakly-ionized plasmadynamics
International Nuclear Information System (INIS)
Parent, Bernard; Macheret, Sergey O.; Shneider, Mikhail N.
2014-01-01
A new set of ion and electron transport equations is proposed to simulate steady or unsteady quasi-neutral or non-neutral multicomponent weakly-ionized plasmas through the drift–diffusion approximation. The proposed set of equations is advantaged over the conventional one by being considerably less stiff in quasi-neutral regions because it can be integrated in conjunction with a potential equation based on Ohm's law rather than Gauss's law. The present approach is advantaged over previous attempts at recasting the system by being applicable to plasmas with several types of positive ions and negative ions and by not requiring changes to the boundary conditions. Several test cases of plasmas enclosed by dielectrics and of glow discharges between electrodes show that the proposed equations yield the same solution as the standard equations but require 10 to 100 times fewer iterations to reach convergence whenever a quasi-neutral region forms. Further, several grid convergence studies indicate that the present approach exhibits a higher resolution (and hence requires fewer nodes to reach a given level of accuracy) when ambipolar diffusion is present. Because the proposed equations are not intrinsically linked to specific discretization or integration schemes and exhibit substantial advantages with no apparent disadvantage, they are generally recommended as a substitute to the fluid models in which the electric field is obtained from Gauss's law as long as the plasma remains weakly-ionized and unmagnetized
Energy Technology Data Exchange (ETDEWEB)
Fevotte, F. [CEA Saclay, Dept. Modelisation de Systemes et Structures (DEN/DANS/DM2S/SERMA), 91 - Gif sur Yvette (France)
2008-07-01
At the various stages of a nuclear reactor's life, numerous studies are needed to guaranty the safety and efficiency of the design, analyse the fuel cycle, prepare the dismantlement, and so on. Due to the extreme difficulty to take extensive and accurate measurements in the reactor core, most of these studies are numerical simulations. The complete numerical simulation of a nuclear reactor involves many types of physics: neutronics, thermal hydraulics, materials, control engineering, Among these, the neutron transport simulation is one of the fundamental steps, since it allows computation - among other things - of various fundamental values such as the power density (used in thermal hydraulics computations) or fuel burn-up. The neutron transport simulation is based on the Boltzmann equation, which models the neutron population inside the reactor core. Among the various methods allowing its numerical solution, much interest has been devoted in the past few years to the Method of Characteristics in unstructured meshes (MOC), since it offers a good accuracy and operates in complicated geometries. The aim of this work is to propose improvements of the calculation scheme bound on the two dimensions MOC, in order to decrease the needed resources number. (A.L.B.)
Exponentially-convergent Monte Carlo for the 1-D transport equation
International Nuclear Information System (INIS)
Peterson, J. R.; Morel, J. E.; Ragusa, J. C.
2013-01-01
We define a new exponentially-convergent Monte Carlo method for solving the one-speed 1-D slab-geometry transport equation. This method is based upon the use of a linear discontinuous finite-element trial space in space and direction to represent the transport solution. A space-direction h-adaptive algorithm is employed to restore exponential convergence after stagnation occurs due to inadequate trial-space resolution. This methods uses jumps in the solution at cell interfaces as an error indicator. Computational results are presented demonstrating the efficacy of the new approach. (authors)
The use of non-dimensional representation of the solute transport equations
International Nuclear Information System (INIS)
Laurens, J.-M.
1988-07-01
This report presents the results obtained in a pilot investigation into the use of non-dimensional representations of the solute transport equations, so as to improve the efficiency of the PRA codes used by the DoE and its contractors. A reduced set of parameters was obtained for a single layer transport model. As expected, the response was shown to be highly sensitive on the new parameters. A faster convergence of the system was observed when the sampling technique used was changed to take into account the properties of the new parameters, such that uniform coverage of the reduced parameter hyperspace was achieved. (author)
Tokamak fluidlike equations, with applications to turbulence and transport in H mode discharges
International Nuclear Information System (INIS)
Kim, Y.B.; Biglari, H.; Carreras, B.A.; Diamond, P.H.; Groebner, R.J.; Kwon, O.J.; Spong, D.A.; Callen, J.D.; Chang, Z.; Hollenberg, J.B.; Sundaram, A.K.; Terry, P.W.; Wang, J.F.
1990-01-01
Significant progress has been made in developing tokamak fluidlike equations which are valid in all collisionality regimes in toroidal devices, and their applications to turbulence and transport in tokamaks. The areas highlighted in this paper include: the rigorous derivation of tokamak fluidlike equations via a generalized Chapman-Enskog procedure in various collisionality regimes and on various time scales; their application to collisionless and collisional drift wave models in a sheared slab geometry; applications to neoclassical drift wave turbulence; i.e. neoclassical ion-temperature-gradient-driven turbulence and neoclassical electron-drift-wave turbulence; applications to neoclassical bootstrap-current-driven turbulence; numerical simulation of nonlinear bootstrap-current-driven turbulence and tearing mode turbulence; transport in Hot-Ion H mode discharges. 20 refs., 3 figs
CACTUS, a characteristics solution to the neutron transport equations in complicated geometries
International Nuclear Information System (INIS)
Halsall, M.J.
1980-04-01
CACTUS has been written to solve the multigroup neutron transport equation in a general two-dimensional geometry. The method is based upon a characteristics formulation for the problem in which the transport equation is integrated explicitly along straight line tracks that are suitably distributed throughout the problem. Source distributions and scattering are assumed to be isotropic, but the only restriction on geometry is that the outer boundary should be rectangular. Within this rectangular boundary the user is free to build his problem geometry using any combination of intersecting straight lines and circular arcs. The theory of the method is described, followed by some details of a coding, a sensitivity study on the number of tracks required to integrate fluxes in a particular problem, a user's guide, and a few test cases. (author)
International Nuclear Information System (INIS)
Talamo, Alberto
2013-01-01
This study presents three numerical algorithms to solve the time dependent neutron transport equation by the method of the characteristics. The algorithms have been developed taking into account delayed neutrons and they have been implemented into the novel MCART code, which solves the neutron transport equation for two-dimensional geometry and an arbitrary number of energy groups. The MCART code uses regular mesh for the representation of the spatial domain, it models up-scattering, and takes advantage of OPENMP and OPENGL algorithms for parallel computing and plotting, respectively. The code has been benchmarked with the multiplication factor results of a Boiling Water Reactor, with the analytical results for a prompt jump transient in an infinite medium, and with PARTISN and TDTORT results for cross section and source transients. The numerical simulations have shown that only two numerical algorithms are stable for small time steps
Energy Technology Data Exchange (ETDEWEB)
Talamo, Alberto, E-mail: alby@anl.gov [Nuclear Engineering Division, Argonne National Laboratory, 9700 South Cass Avenue, Lemont, IL 60439 (United States)
2013-05-01
This study presents three numerical algorithms to solve the time dependent neutron transport equation by the method of the characteristics. The algorithms have been developed taking into account delayed neutrons and they have been implemented into the novel MCART code, which solves the neutron transport equation for two-dimensional geometry and an arbitrary number of energy groups. The MCART code uses regular mesh for the representation of the spatial domain, it models up-scattering, and takes advantage of OPENMP and OPENGL algorithms for parallel computing and plotting, respectively. The code has been benchmarked with the multiplication factor results of a Boiling Water Reactor, with the analytical results for a prompt jump transient in an infinite medium, and with PARTISN and TDTORT results for cross section and source transients. The numerical simulations have shown that only two numerical algorithms are stable for small time steps.
RTk/SN Solutions of the Two-Dimensional Multigroup Transport Equations in Hexagonal Geometry
International Nuclear Information System (INIS)
Valle, Edmundo del; Mund, Ernest H.
2004-01-01
This paper describes an extension to the hexagonal geometry of some weakly discontinuous nodal finite element schemes developed by Hennart and del Valle for the two-dimensional discrete ordinates transport equation in quadrangular geometry. The extension is carried out in a way similar to the extension to the hexagonal geometry of nodal element schemes for the diffusion equation using a composite mapping technique suggested by Hennart, Mund, and del Valle. The combination of the weakly discontinuous nodal transport scheme and the composite mapping is new and is detailed in the main section of the paper. The algorithm efficiency is shown numerically through some benchmark calculations on classical problems widely referred to in the literature
International Nuclear Information System (INIS)
Kovac, D.; Otto, G.; Hobler, G.
2005-01-01
In this paper we present a model of amorphous pocket formation that is based on binary collision simulations to generate the distribution of deposited energy, and on numerical solution of the heat transport equation to describe the quenching process. The heat transport equation is modified to consider the heat of melting when the melting temperature is crossed at any point in space. It is discretized with finite differences on grid points that coincide with the crystallographic lattice sites, which allows easy determination of molten atoms. Atoms are considered molten if the average of their energy and the energy of their neighbors meets the melting criterion. The results obtained with this model are in good overall agreement with published experimental data on P, As, Te and Tl implantations in Si and with data on the polyatomic effect at cryogenic temperature
International Nuclear Information System (INIS)
Asadzadeh, M.; Thevenot, L.
2010-01-01
The objective of this paper is to give a mathematical framework for a fully discrete numerical approach for the study of the neutron transport equation in a cylindrical domain (container model,). More specifically, we consider the discontinuous Galerkin (D G) finite element method for spatial approximation of the mono-energetic, critical neutron transport equation in an infinite cylindrical domain ??in R3 with a polygonal convex cross-section ? The velocity discretization relies on a special quadrature rule developed to give optimal estimates in discrete ordinate parameters compatible with the quasi-uniform spatial mesh. We use interpolation spaces and derive optimal error estimates, up to maximal available regularity, for the fully discrete scalar flux. Finally we employ a duality argument and prove superconvergence estimates for the critical eigenvalue.
Lattice Boltzmann model for numerical relativity.
Ilseven, E; Mendoza, M
2016-02-01
In the Z4 formulation, Einstein equations are written as a set of flux conservative first-order hyperbolic equations that resemble fluid dynamics equations. Based on this formulation, we construct a lattice Boltzmann model for numerical relativity and validate it with well-established tests, also known as "apples with apples." Furthermore, we find that by increasing the relaxation time, we gain stability at the cost of losing accuracy, and by decreasing the lattice spacings while keeping a constant numerical diffusivity, the accuracy and stability of our simulations improve. Finally, in order to show the potential of our approach, a linear scaling law for parallelization with respect to number of CPU cores is demonstrated. Our model represents the first step in using lattice kinetic theory to solve gravitational problems.
International Nuclear Information System (INIS)
Kobayashi, Keisuke
1977-01-01
A method of solution of a monoenergetic neutron transport equation in P sub(L) approximation is presented for x-y and x-y-z geometries using the finite Fourier transformation. A reactor system is assumed to consist of multiregions in each of which the nuclear cross sections are spatially constant. Since the unknown functions of this method are the spherical harmonics components of the neutron angular flux at the material boundaries alone, the three- and two-dimensional equations are reduced to two- and one-dimensional equations, respectively. The present approach therefore gives fewer unknowns than in the usual series expansion method or in the finite difference method. Some numerical examples are shown for the criticality problem. (auth.)
Lin, Fubiao; Meleshko, Sergey V.; Flood, Adrian E.
2018-06-01
The population balance equation (PBE) has received an unprecedented amount of attention in recent years from both academics and industrial practitioners because of its long history, widespread use in engineering, and applicability to a wide variety of particulate and discrete-phase processes. However it is typically impossible to obtain analytical solutions, although in almost every case a numerical solution of the PBEs can be obtained. In this article, the symmetries of PBEs with homogeneous coagulation kernels involving aggregation, breakage and growth processes and particle transport in one dimension are found by direct solving the determining equations. Using the optimal system of one and two-dimensional subalgebras, all invariant solutions and reduced equations are obtained. In particular, an explicit analytical physical solution is also presented.
Lattice Boltzmann simulation of antiplane shear loading of a stationary crack
Schlüter, Alexander; Kuhn, Charlotte; Müller, Ralf
2018-01-01
In this work, the lattice Boltzmann method is applied to study the dynamic behaviour of linear elastic solids under antiplane shear deformation. In this case, the governing set of partial differential equations reduces to a scalar wave equation for the out of plane displacement in a two dimensional domain. The lattice Boltzmann approach developed by Guangwu (J Comput Phys 161(1):61-69, 2000) in 2006 is used to solve the problem numerically. Some aspects of the scheme are highlighted, including the treatment of the boundary conditions. Subsequently, the performance of the lattice Boltzmann scheme is tested for a stationary crack problem for which an analytic solution exists. The treatment of cracks is new compared to the examples that are discussed in Guangwu's work. Furthermore, the lattice Boltzmann simulations are compared to finite element computations. Finally, the influence of the lattice Boltzmann relaxation parameter on the stability of the scheme is illustrated.
Training Restricted Boltzmann Machines
DEFF Research Database (Denmark)
Fischer, Asja
relies on sampling based approximations of the log-likelihood gradient. I will present an empirical and theoretical analysis of the bias of these approximations and show that the approximation error can lead to a distortion of the learning process. The bias decreases with increasing mixing rate......Restricted Boltzmann machines (RBMs) are probabilistic graphical models that can also be interpreted as stochastic neural networks. Training RBMs is known to be challenging. Computing the likelihood of the model parameters or its gradient is in general computationally intensive. Thus, training...... of the applied sampling procedure and I will introduce a transition operator that leads to faster mixing. Finally, a different parametrisation of RBMs will be discussed that leads to better learning results and more robustness against changes in the data representation....
A scalar flux - oriented method for the transport equation in slab geometry
International Nuclear Information System (INIS)
Budd, C.
1981-01-01
A new method for solving the neutron transport equation is described. An unusual feature of this method is that it deals principally with scalar fluxes rather than angular fluxes. An alternative approach in slab geometry promises to be cheaper to run and does not suffer from many of the problems of the discrete ordinates method. It also appears possible to extend the method to several dimensions and this is discussed. (U.K.)
A parallel version of a multigrid algorithm for isotropic transport equations
International Nuclear Information System (INIS)
Manteuffel, T.; McCormick, S.; Yang, G.; Morel, J.; Oliveira, S.
1994-01-01
The focus of this paper is on a parallel algorithm for solving the transport equations in a slab geometry using multigrid. The spatial discretization scheme used is a finite element method called the modified linear discontinuous (MLD) scheme. The MLD scheme represents a lumped version of the standard linear discontinuous (LD) scheme. The parallel algorithm was implemented on the Connection Machine 2 (CM2). Convergence rates and timings for this algorithm on the CM2 and Cray-YMP are shown
Numerical solution of neutron transport equations in discrete ordinates and slab geometry
International Nuclear Information System (INIS)
Serrano Pedraza, F.
1985-01-01
An unified formalism to solve numerically, between other equation, the neutron transport in discrete ordinates, slab geometry, several energy groups and independents of time, has been developed recently. Such a formalism cover some of the conventional schemes as diamond difference, (WDD) characteristic step (SC) lineal characteristic (LC), quadratic characteristic (QC) and lineal discontinuous. Unified formation gives before hand the convergence order of the previously selected scheme. In fact it allows besides to generate a big amount of numerical schemes, with which is also possible to solve numerical equations as soon as neutron transport. The essential purpose of this work was to solve the neutron transport equations in slab geometry and discrete ordinates considering several energy groups without to take under advisement time dependence based in the above mentioned unified formalism. To reach this purpose it was necesary to design a computer code with the name TNOD1 (Neutron transport in discrete ordinates and 1 dimension) which includes each one of the schemes already pointed out. there exist two numerical schemes, also recently developed, quadratic continuous (QC) and cubic continuous (CN), although covered by unified formalism, it has been possible to include them inside this computer code without make substantial changes in its structure. In chapter I, derivative of neutron transport equation independent of time is taken, for angular flux, including boundary conditions and discontinuity. In chapter II the neutron transport equations are obtained in multigroups, independents of time, for approximation of discrete ordinates. Description of theory related with unified formalism and its relationship with mentioned discretization schemes is presented in chapter III. Chapter IV describes the computer code developed and finally, in chapter V different numerical results obtained with TNOD1 program are shown. In Appendix A theorems and mathematical arguments used
Multiphase lattice Boltzmann on the Cell Broadband Engine
International Nuclear Information System (INIS)
Belletti, F.; Mantovani, F.; Tripiccione, R.; Biferale, L.; Schifano, S.F.; Toschi, F.
2009-01-01
Computational experiments are one of the most used and flexible investigation tools in fluid dynamics. The Lattice Boltzmann Equation is a well established computational method particularly promising for multi-phase flows at micro and macro scales. Here we present preliminary results on performances of the Lbe method on the Cell Broadband Engine platform.
Finite-difference solution of the space-angle-lethargy-dependent slowing-down transport equation
Energy Technology Data Exchange (ETDEWEB)
Matausek, M V [Boris Kidric Vinca Institute of Nuclear Sciences, Vinca, Belgrade (Yugoslavia)
1972-07-01
A procedure has been developed for solving the slowing-down transport equation for a cylindrically symmetric reactor system. The anisotropy of the resonance neutron flux is treated by the spherical harmonics formalism, which reduces the space-angle-Iethargy-dependent transport equation to a matrix integro-differential equation in space and lethargy. Replacing further the lethargy transfer integral by a finite-difference form, a set of matrix ordinary differential equations is obtained, with lethargy-and space dependent coefficients. If the lethargy pivotal points are chosen dense enough so that the difference correction term can be ignored, this set assumes a lower block triangular form and can be solved directly by forward block substitution. As in each step of the finite-difference procedure a boundary value problem has to be solved for a non-homogeneous system of ordinary differential equations with space-dependent coefficients, application of any standard numerical procedure, for example, the finite-difference method or the method of adjoint equations, is too cumbersome and would make the whole procedure practically inapplicable. A simple and efficient approximation is proposed here, allowing analytical solution for the space dependence of the spherical-harmonics flux moments, and hence the derivation of the recurrence relations between the flux moments at successive lethargy pivotal points. According to the procedure indicated above a computer code has been developed for the CDC -3600 computer, which uses the KEDAK nuclear data file. The space and lethargy distribution of the resonance neutrons can be computed in such a detailed fashion as the neutron cross-sections are known for the reactor materials considered. The computing time is relatively short so that the code can be efficiently used, either autonomously, or as part of some complex modular scheme. Typical results will be presented and discussed in order to prove and illustrate the applicability of the
Photons in a partonic transport approach
Energy Technology Data Exchange (ETDEWEB)
Greif, Moritz; Senzel, Florian; Greiner, Carsten [Goethe Universitaet Frankfurt, Max-von-Laue-Str. 1 60438 Frankfurt am Main (Germany)
2015-07-01
Partonic transport approaches have proved to be valuable tools in describing the quark-gluon plasma, created in heavy-ion collisions. In this work, first steps towards a dynamical understanding of photonproduction in expanding heavy-ion collisions are presented. Several photon production processes are included in the partonic cascade BAMPS (Boltzmann Approach to Multi-Parton Scatterings). BAMPS provides a microscopic tool to study expanding fireballs, employing a stochastic method to solve the relativistic 3+1d Boltzmann equation. Subsequently, photon spectra can be investigated, and in particular, the influence of the quark-gluon plasma phase for the elliptic flow of photons is studied.
Approximate method for solving the velocity dependent transport equation in a slab lattice
International Nuclear Information System (INIS)
Ferrari, A.
1966-01-01
A method is described that is intended to provide an approximate solution of the transport equation in a medium simulating a water-moderated plate filled reactor core. This medium is constituted by a periodic array of water channels and absorbing plates. The velocity dependent transport equation in slab geometry is included. The computation is performed in a water channel: the absorbing plates are accounted for by the boundary conditions. The scattering of neutrons in water is assumed isotropic, which allows the use of a double Pn approximation to deal with the angular dependence. This method is able to represent the discontinuity of the angular distribution at the channel boundary. The set of equations thus obtained is dependent only on x and v and the coefficients are independent on x. This solution suggests to try solutions involving Legendre polynomials. This scheme leads to a set of equations v dependent only. To obtain an explicit solution, a thermalization model must now be chosen. Using the secondary model of Cadilhac a solution of this set is easy to get. The numerical computations were performed with a particular secondary model, the well-known model of Wigner and Wilkins. (author) [fr
Bodin, Jacques
2015-03-01
In this study, new multi-dimensional time-domain random walk (TDRW) algorithms are derived from approximate one-dimensional (1-D), two-dimensional (2-D), and three-dimensional (3-D) analytical solutions of the advection-dispersion equation and from exact 1-D, 2-D, and 3-D analytical solutions of the pure-diffusion equation. These algorithms enable the calculation of both the time required for a particle to travel a specified distance in a homogeneous medium and the mass recovery at the observation point, which may be incomplete due to 2-D or 3-D transverse dispersion or diffusion. The method is extended to heterogeneous media, represented as a piecewise collection of homogeneous media. The particle motion is then decomposed along a series of intermediate checkpoints located on the medium interface boundaries. The accuracy of the multi-dimensional TDRW method is verified against (i) exact analytical solutions of solute transport in homogeneous media and (ii) finite-difference simulations in a synthetic 2-D heterogeneous medium of simple geometry. The results demonstrate that the method is ideally suited to purely diffusive transport and to advection-dispersion transport problems dominated by advection. Conversely, the method is not recommended for highly dispersive transport problems because the accuracy of the advection-dispersion TDRW algorithms degrades rapidly for a low Péclet number, consistent with the accuracy limit of the approximate analytical solutions. The proposed approach provides a unified methodology for deriving multi-dimensional time-domain particle equations and may be applicable to other mathematical transport models, provided that appropriate analytical solutions are available.
Moment-based boundary conditions for lattice Boltzmann simulations of natural convection in cavities
Allen, Rebecca; Reis, Tim
2016-01-01
moments, which are then translated into conditions for the discrete velocity distribution functions. The method is formulated so that it is consistent with the second order implementation of the discrete velocity Boltzmann equations for fluid flow
On the equation of transport for cosmic-ray particles in the interplanetary region
International Nuclear Information System (INIS)
Webb, G.M.; Gleeson, L.J.
1979-01-01
Two new alternative derivations of the equation of transport for cosmic-ray particles in the interplanetary region are provided. Both derivations are carried out by using particle position r and time t in a frame of reference fixed in the solar system, and the particle momentum p' is specified relative to a local frame of reference moving with the solar wind. The first derivation is carried out by writing down a continuity equation for the cosmic rays, taking into account particle streaming and energy changes, and subsequently deriving the streaming and energy change terms in this equation. The momentum change term in the continuity equation, previously considered to be due to the adiabatic deceleration of particles in the expanding magnetic fields carried by the solar wing, appears in the present analysis as a dynamic effect in which the Lorentz force on the particle does not appear explicitly. An alternative derivation based on the ensemble averaged Liouville equation for charged particles in the stochastic interplanetary magnetic field using (r,p',t) as independent coordinates is also given. The latter derivation confirms the momentum change interpretation of the first derivation. A new derivation of the adiabatic rate as a combination of inverse-Fermi and betatron deceleration processes is also provided. (Auth.)
Chakraverty, S; Sahoo, B K; Rao, T D; Karunakar, P; Sapra, B K
2018-02-01
Modelling radon transport in the earth crust is a useful tool to investigate the changes in the geo-physical processes prior to earthquake event. Radon transport is modeled generally through the deterministic advection-diffusion equation. However, in order to determine the magnitudes of parameters governing these processes from experimental measurements, it is necessary to investigate the role of uncertainties in these parameters. Present paper investigates this aspect by combining the concept of interval uncertainties in transport parameters such as soil diffusivity, advection velocity etc, occurring in the radon transport equation as applied to soil matrix. The predictions made with interval arithmetic have been compared and discussed with the results of classical deterministic model. The practical applicability of the model is demonstrated through a case study involving radon flux measurements at the soil surface with an accumulator deployed in steady-state mode. It is possible to detect the presence of very low levels of advection processes by applying uncertainty bounds on the variations in the observed concentration data in the accumulator. The results are further discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.
Analytical solutions of a fractional diffusion-advection equation for solar cosmic-ray transport
International Nuclear Information System (INIS)
Litvinenko, Yuri E.; Effenberger, Frederic
2014-01-01
Motivated by recent applications of superdiffusive transport models to shock-accelerated particle distributions in the heliosphere, we analytically solve a one-dimensional fractional diffusion-advection equation for the particle density. We derive an exact Fourier transform solution, simplify it in a weak diffusion approximation, and compare the new solution with previously available analytical results and with a semi-numerical solution based on a Fourier series expansion. We apply the results to the problem of describing the transport of energetic particles, accelerated at a traveling heliospheric shock. Our analysis shows that significant errors may result from assuming an infinite initial distance between the shock and the observer. We argue that the shock travel time should be a parameter of a realistic superdiffusive transport model.
Lattice gas cellular automata and lattice Boltzmann models an introduction
Wolf-Gladrow, Dieter A
2000-01-01
Lattice-gas cellular automata (LGCA) and lattice Boltzmann models (LBM) are relatively new and promising methods for the numerical solution of nonlinear partial differential equations. The book provides an introduction for graduate students and researchers. Working knowledge of calculus is required and experience in PDEs and fluid dynamics is recommended. Some peculiarities of cellular automata are outlined in Chapter 2. The properties of various LGCA and special coding techniques are discussed in Chapter 3. Concepts from statistical mechanics (Chapter 4) provide the necessary theoretical background for LGCA and LBM. The properties of lattice Boltzmann models and a method for their construction are presented in Chapter 5.